| SpectraBase Spectrum ID |
10jSDJVCNc |
| Name |
Methyl vanillin |
| CAS Registry Number |
120-14-9 |
| 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/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3 |
| InChIKey |
WJUFSDZVCOTFON-UHFFFAOYSA-N |
| Molecular Weight |
166.176 g/mol |
| Nominal Mass |
166 u |
| Number of Peaks |
77 |
| SMILES |
c1c(cc(c(c1)OC)OC)C=O |
| SPLASH |
splash10-014i-7900000000-5ae01bae49127ef2f517 |
| Source |
ex IAN SOUTHWELL |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000962 |
