| SpectraBase Spectrum ID |
14VYOupO9tD |
| Name |
Vanillin |
| CAS Registry Number |
121-33-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H8O3 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m 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 |
| 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 |
1887129 |
