| SpectraBase Spectrum ID |
1PI7q10dv90 |
| Name |
Vanillin |
| CAS Registry Number |
148-53-8 |
| 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/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3 |
| InChIKey |
JJVNINGBHGBWJH-UHFFFAOYSA-N |
| Molecular Weight |
152.149 g/mol |
| Nominal Mass |
152 u |
| Number of Peaks |
99 |
| SMILES |
Oc1c(C=O)cccc1OC |
| SPLASH |
splash10-0zfr-6900000000-d3aa025df87912e280bb |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001371 |
