| SpectraBase Spectrum ID |
97MOERDTerT |
| Name |
Thujopsenic acid |
| CAS Registry Number |
546-53-2 |
| 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 |
234.161979946 u |
| Formula |
C15H22O2 |
| 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/C15H22O2/c1-13(2)6-4-7-14(3)8-5-10(12(16)17)11-9-15(11,13)14/h5,11H,4,6-9H2,1-3H3,(H,16,17)/t11-,14-,15-/m0/s1 |
| InChIKey |
QATLFHOGPLMQHU-CQDKDKBSSA-N |
| Molecular Weight |
234.339 g/mol |
| Nominal Mass |
234 u |
| Number of Peaks |
92 |
| SMILES |
OC(C1=CC[C@@]2(CCCC([C@]22[C@]1(C2)[H])(C)C)C)=O |
| SPLASH |
splash10-0596-9800000000-9935b65fb54ee4043537 |
| Source |
ex von RUDLOFF |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001330 |
