| SpectraBase Spectrum ID |
g7XtCQgV6 |
| Name |
Vanillin |
| CAS Registry Number |
121-33-5 |
| 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 |
152.047344115 u |
| Formula |
C8H8O3 |
| 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/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| InChIKey |
MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Molecular Weight |
152.149 g/mol |
| Nominal Mass |
152 u |
| Number of Peaks |
92 |
| SMILES |
Oc1c(OC)cc(C=O)cc1 |
| SPLASH |
splash10-0udi-4900000000-2044e04e7b18d69741c8 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001368 |
