| SpectraBase Spectrum ID |
GVroNohIVfl |
| Name |
Vanillin |
| CAS Registry Number |
121-32-4 |
| 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 |
166.062994179 u |
| Formula |
C9H10O3 |
| 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/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3 |
| InChIKey |
CBOQJANXLMLOSS-UHFFFAOYSA-N |
| Molecular Weight |
166.176 g/mol |
| Nominal Mass |
166 u |
| Number of Peaks |
110 |
| SMILES |
Oc1c(cc(cc1)C=O)OCC |
| SPLASH |
splash10-000i-3900000000-219a6dba2d1ab20e5e62 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001369 |
