| SpectraBase Spectrum ID |
1KUgiimJYsT |
| Name |
Thujic acid |
| CAS Registry Number |
499-89-8 |
| 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 |
164.083729624 u |
| Formula |
C10H12O2 |
| 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/C10H12O2/c1-10(2)6-3-4-8(5-7-10)9(11)12/h3-7H,1-2H3,(H,11,12) |
| InChIKey |
JHHXPQAUADQJBQ-UHFFFAOYSA-N |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Number of Peaks |
58 |
| SMILES |
OC(C=1C=CC(C=CC1)(C)C)=O |
| SPLASH |
splash10-052e-8900000000-2d0a4721f6c816028656 |
| Source |
ex THUJA PLICATA WOOD OIL |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001320 |
