| SpectraBase Spectrum ID |
JlmKFMvOxfE |
| Name |
Coumarin<3-methyl-> |
| CAS Registry Number |
2445-82-1 |
| 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 |
160.052429496 u |
| Formula |
C10H8O2 |
| 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/C10H8O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3 |
| InChIKey |
VIIIJFZJKFXOGG-UHFFFAOYSA-N |
| Molecular Weight |
160.172 g/mol |
| Nominal Mass |
160 u |
| Number of Peaks |
62 |
| SMILES |
C1(C)=Cc2c(OC1=O)cccc2 |
| SPLASH |
splash10-01q9-6900000000-9e62f5ecff82e024365c |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000369 |
