| SpectraBase Spectrum ID |
HFWWrUxRoqU |
| Name |
3-iso-Thujopsanone |
| CAS Registry Number |
25966-81-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H24O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m 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 |
| 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 |
| Synonyms |
Thujopsanone<3-iso-> |
| Wiley ID |
1887088 |
