| SpectraBase Spectrum ID |
3BUN1OeEHrD |
| Name |
3-Methylbenzylalcohol |
| CAS Registry Number |
587-03-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
122.073164941 u |
| Formula |
C8H10O |
| InChI |
InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3 |
| InChIKey |
JJCKHVUTVOPLBV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
122.167 g/mol |
| Nominal Mass |
122 u |
| Quality |
998 |
| Retention Index |
1128 |
| SMILES |
OCC=1C=C(C=CC1)C |
| SPLASH |
splash10-05bf-9600000000-345ea6b0fb2bfe276105 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3-Methylphenyl)methanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022965 |
