| SpectraBase Spectrum ID |
5WMwOpVcRTk |
| Name |
2,3,6-Trimethylphenol |
| CAS Registry Number |
2416-94-6 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
136.088815005 u |
| Formula |
C9H12O |
| InChI |
InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3 |
| InChIKey |
QQOMQLYQAXGHSU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
136.194 g/mol |
| Nominal Mass |
136 u |
| Quality |
975 |
| Retention Index |
1201 |
| SMILES |
OC=1C(=C(C=CC1C)C)C |
| SPLASH |
splash10-00dr-6900000000-ad923d478cb4432f7f8f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Phenol,2,3,6-trimethyl |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024714 |
