| SpectraBase Spectrum ID |
3cIE2iUgnUQ |
| Name |
Thujopsan-2-alpha-ol |
| CAS Registry Number |
78392-83-3 |
| 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 |
222.198365456 u |
| Formula |
C15H26O |
| 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/C15H26O/c1-12(2)6-5-7-13(3)8-9-14(4,16)11-10-15(11,12)13/h11,16H,5-10H2,1-4H3/t11-,13-,14-,15-/m0/s1 |
| InChIKey |
YTLMZAPWDFQBAI-MXAVVETBSA-N |
| Molecular Weight |
222.372 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
163 |
| SMILES |
O[C@]1(CC[C@@]2(CCCC([C@]22[C@]1(C2)[H])(C)C)C)C |
| SPLASH |
splash10-0006-9500000000-d9935061c7f24f500281 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001324 |
