Product Name3,5-Di-tert-butylcatechol
CAS1020-31-1
Molecular FormulaC14H22O2
Molecular Weight222.32
InChIInChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3
InChIKey PJZLSMMERMMQBJ-UHFFFAOYSA-N
SmilesC1(O)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1O
Mass
MS-NW-6527 3,5-di-tert-butylpyrocatechol C14H22O2 (Mass of molecular ion: 222)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
17.0 1.3 18.0 5.9 27.0 2.2 29.0 5.8 39.0 3.6 41.0 10.3 43.0 1.4 51.0 2.1 53.0 1.7 55.0 2.1 57.0 32.9 58.0 1.5 65.0 1.8 67.0 1.1 68.0 2.7 74.0 1.0 77.0 3.7 78.0 1.0 79.0 1.7 81.0 1.9 82.0 5.9 91.0 3.8 93.0 1.8 96.0 2.8 103.0 1.2 105.0 2.0 107.0 1.2 108.0 4.4 115.0 1.6 119.0 1.4 121.0 1.2 123.0 2.1 131.0 1.1 133.0 1.3 135.0 1.5 136.0 1.4 137.0 1.3 149.0 6.5 150.0 1.4 151.0 1.8 163.0 1.3 164.0 3.5 165.0 1.6 177.0 2.7 179.0 3.9 191.0 3.6 192.0 3.6 207.0 100.0 208.0 15.0 209.0 1.4 222.0 25.7 223.0 4.0
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C14 H22 O2 | 0.043 g : 0.5 ml CDCl3 |
3,5-di-tert-butylpyrocatechol |
![]() |
Assign. Shift(ppm) |
Hz ppm Int.
617.94 6.900 24 615.75 6.876 32 604.38 6.749 45 602.13 6.724 35 455.06 5.082 69 126.44 1.412 1000 112.56 1.257 826
in CDCl3
KBr disc
nujol mull
3,5-Di-tert-butylcatechol(1020-31-1) Raman Atlas of Related Products
HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase
Copyright © 2017 ChemicalBook All rights reserved.