4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid(5748-42-5) MS
Product Name4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid
CAS5748-42-5
Molecular FormulaC17H18O2
Molecular Weight254.32
InChIInChI=1S/C17H18O2/c1-17(2,3)15-10-8-13(9-11-15)12-4-6-14(7-5-12)16(18)19/h4-11H,1-3H3,(H,18,19)
InChIKey HZIOPONJCVOCFE-UHFFFAOYSA-N
SmilesC1(C2=CC=C(C(C)(C)C)C=C2)=CC=C(C(O)=O)C=C1
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![4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid(5748-42-5) MS](https://www.chemicalbook.com/Spectrum/5748-42-5_MS_1.jpg)
MassMS-KW-0266 4'-tert-butyl-4-biphenylcarboxylic acid C17H18O2 (Mass of molecular ion: 254)
Source Temperature: 190 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 2.2 29.0 1.2 39.0 2.3 41.0 10.3 51.0 1.3 57.0 1.8 63.0 1.3 75.0 1.1 76.0 3.3 77.0 3.3 82.0 4.1 82.5 3.1 83.0 4.3 83.5 1.3 88.0 1.1 89.0 2.1 91.0 1.3 97.0 15.2 97.5 2.5 103.0 1.3 111.0 4.8 115.0 2.2 119.5 3.0 127.0 1.2 128.0 1.0 139.0 1.0 151.0 2.5 152.0 6.7 153.0 3.6 154.0 1.6 155.0 6.4 165.0 6.5 166.0 2.8 167.0 5.2 176.0 1.5 177.0 1.4 178.0 6.8 179.0 3.1 180.0 1.3 181.0 2.3 193.0 1.2 194.0 1.6 195.0 1.0 199.0 1.1 211.0 13.8 212.0 2.2 238.0 1.0 239.0 100.0 240.0 17.8 241.0 1.9 254.0 30.4 255.0 5.7
400 MHz in DMSO-d6
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![4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid(5748-42-5) MS](https://www.chemicalbook.com/Spectrum/5748-42-5_1HNMR_0.jpg)
1H NMR 399.65 MHz C17H18O2 0.038 g : 0.5 ml DMSO-d6 4'-tert-butyl-4-biphenylcarboxylic acid 
Assign. Shift(ppm)
A 13.0 B 8.040 C 7.780 D 7.655 E 7.501 F 1.313
Hz ppm Int.3219.19 8.053 863 3212.41 8.036 397 3210.58 8.031 1000 3114.23 7.790 983 3105.62 7.769 799 3064.95 7.667 761 3056.34 7.645 965 3002.49 7.511 974 2993.88 7.489 734
in DMSO-d6
![4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid(5748-42-5) MS](https://www.chemicalbook.com/Spectrum/5748-42-5_13CNMR_0.jpg)
KBr disk
![4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid(5748-42-5) MS](https://www.chemicalbook.com/Spectrum/5748-42-5_IR1_2.jpg)
Nujol
![4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid(5748-42-5) MS](https://www.chemicalbook.com/Spectrum/5748-42-5_IR2_1.jpg)
