ALPHA-PHENYLCYCLOPENTANEACETIC ACID(3900-93-4) 1H NMR
Molecular FormulaC13H16O2
Molecular Weight204.26
InChIInChI=1S/C13H16O2/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15)
InChIKey BCJIDGDYYYBNNB-UHFFFAOYSA-N
SmilesC(C(=O)O)(C1CCCC1)C1C=CC=CC=1
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![](https://www.chemicalbook.com/Spectrum/3900-93-4_1HNMR_0.jpg)
Assign. Shift(ppm)
A 12.
B 7.335
C 7.300
D 7.253
E 3.263
F 2.540
G *1 1.944
J *2 1.65
K *2 1.58
L *2 1.27
M *1 1.294
N *1 0.981
ASSIGNED BY C-H COSY
Spectral Code: 1H NMR : 400 MHz in CDCl3
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![](https://www.chemicalbook.com/Spectrum/3900-93-4_13CNMR_0.jpg)
ppm Int. Assign.
180.68 306 1
138.47 489 2
128.57 946 3 *
128.43 1000 4 *
127.44 414 5
57.89 446 6
43.13 446 7
31.59 382 8 #
30.72 387 9 #
25.19 398 10 *1
24.85 435 11 *1
Spectral Code: 13C NMR : in CDCl3
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![](https://www.chemicalbook.com/Spectrum/3900-93-4_IR1_0.jpg)
Spectral Code: IR : nujol mull
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![](https://www.chemicalbook.com/Spectrum/3900-93-4_Raman_0.jpg)
Spectral Code: Raman : 4880 A,200 M,powder