| SpectraBase Spectrum ID |
B16qaJXH8no |
| Name |
Catechol<3-methyl-> |
| CAS Registry Number |
488-17-5 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
124.052429496 u |
| Formula |
C7H8O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 |
| InChIKey |
PGSWEKYNAOWQDF-UHFFFAOYSA-N |
| Molecular Weight |
124.139 g/mol |
| Nominal Mass |
124 u |
| Number of Peaks |
61 |
| SMILES |
Oc1c(cccc1C)O |
| SPLASH |
splash10-00fr-9700000000-0d1287e2b300486b0885 |
| Source |
ex TOKYO KASAI ex JJ BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000290 |
