SpectraBase Spectrum ID |
GWIElDjJ6dU |
Name |
2-(Trifluoromethyl)benzyl alcohol |
CAS Registry Number |
346-06-5 |
Classification |
Chemical |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
176.044899333 u |
Formula |
C8H7F3O |
InChI |
InChI=1S/C8H7F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2 |
InChIKey |
TWQNSHZTQSLJEE-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
176.138 g/mol |
Nominal Mass |
176 u |
Quality |
993 |
Retention Index |
1058 |
SMILES |
OCC=1C(C(F)(F)F)=CC=CC1 |
SPLASH |
splash10-004i-6900000000-9dcb1638f58f2e0703fa |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
(2-(trifluoromethyl)phenyl)methanol |
Technique |
GC/MS |
Wiley ID |
DD2024_005118 |