| SpectraBase Spectrum ID |
3bIaEm9Adpc |
| Name |
Thujopsanone<3-iso-> |
| CAS Registry Number |
25966-81-8 |
| 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 |
220.182715392 u |
| Formula |
C15H24O |
| 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/C15H24O/c1-10-11-8-15(11)13(2,3)6-5-7-14(15,4)9-12(10)16/h10-11H,5-9H2,1-4H3/t10-,11+,14+,15+/m1/s1 |
| InChIKey |
LFWRAJWJODKLTN-PKIAMQTDSA-N |
| Molecular Weight |
220.356 g/mol |
| Nominal Mass |
220 u |
| Number of Peaks |
128 |
| SMILES |
C1CC[C@@]2([C@]3(C1(C)C)[C@]([C@](C(C2)=O)(C)[H])(C3)[H])C |
| SPLASH |
splash10-074l-7900000000-836bf9b0cf11cea48eaf |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001327 |
