| SpectraBase Spectrum ID |
LTDejow1Qkc |
| Name |
m-Cresol |
| CAS Registry Number |
108-39-4 |
| 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 |
108.057514877 u |
| Formula |
C7H8O |
| InChI |
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 |
| InChIKey |
RLSSMJSEOOYNOY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
108.140 g/mol |
| Nominal Mass |
108 u |
| Quality |
988 |
| Retention Index |
794 |
| SMILES |
OC1=CC(=CC=C1)C |
| SPLASH |
splash10-0a4i-9800000000-efbb179c78d36cf745ee |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Phenol,3-methyl-
3-Methylphenol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004305 |
