| SpectraBase Spectrum ID |
KO3sHLaXSN5 |
| Name |
Guaiacol acetate |
| CAS Registry Number |
613-70-7 |
| 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/c1-7(10)12-9-6-4-3-5-8(9)11-2/h3-6H,1-2H3 |
| InChIKey |
BHJHPYFAYGAPLS-UHFFFAOYSA-N |
| Molecular Weight |
166.176 g/mol |
| Nominal Mass |
166 u |
| Number of Peaks |
73 |
| SMILES |
C(Oc1c(OC)cccc1)(C)=O |
| SPLASH |
splash10-05fr-8900000000-9b68f920d87dff7f7666 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000622 |
