SpectraBase Spectrum ID |
6ZXz9OtJG1X |
Name |
Vanillone, aceto- |
CAS Registry Number |
498-02-2 |
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/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3 |
InChIKey |
DFYRUELUNQRZTB-UHFFFAOYSA-N |
Molecular Weight |
166.176 g/mol |
Nominal Mass |
166 u |
Number of Peaks |
104 |
SMILES |
Oc1c(cc(C(=O)C)cc1)OC |
SPLASH |
splash10-0udi-6900000000-4f12d0f0ba017946538e |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
RA002204 |