| SpectraBase Spectrum ID |
BLNq9MsD0pS |
| Name |
Coumarin |
| CAS Registry Number |
91-64-5 |
| 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 |
146.036779431 u |
| Formula |
C9H6O2 |
| 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/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| InChIKey |
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
| Molecular Weight |
146.145 g/mol |
| Nominal Mass |
146 u |
| Number of Peaks |
73 |
| SMILES |
C1(=O)C=Cc2c(O1)cccc2 |
| SPLASH |
splash10-014j-9800000000-0b07aeb4af820b863b73 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000367 |
