| SpectraBase Spectrum ID |
EPXKrHS9Ch1 |
| Name |
Thymol acetate |
| CAS Registry Number |
528-79-0 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| 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/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3 |
| InChIKey |
WFMIUXMJJBBOGJ-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Number of Peaks |
136 |
| SMILES |
c1c(c(cc(c1)C)OC(C)=O)C(C)C |
| SPLASH |
splash10-000i-3900000000-b92bab38a12e6d7c0762 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001333 |
