| SpectraBase Spectrum ID |
1qfff8ohyy |
| Name |
Thujaplicinol |
| CAS Registry Number |
16643-33-7 |
| 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 |
180.078644243 u |
| Formula |
C10H12O3 |
| 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/C10H12O3/c1-6(2)7-4-3-5-8(11)10(13)9(7)12/h3-6H,1-2H3,(H2,11,12,13) |
| InChIKey |
DTNGDTFARJMFLC-UHFFFAOYSA-N |
| Molecular Weight |
180.203 g/mol |
| Nominal Mass |
180 u |
| Number of Peaks |
134 |
| SMILES |
OC1=C(C(C=CC=C1C(C)C)=O)O |
| SPLASH |
splash10-0gc0-7900000000-fad40d5aebea3c688eca |
| Source |
ex ZAVARIN ex CUPRESSUS WOOD? |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001318 |
