| SpectraBase Spectrum ID |
LpeujkRSPlr |
| Name |
1-[(1S,3aR,4R,7S,7aS)-4-Hydroxy-7-isopropyl-4-methyloctahydro-1H-inden-1-yl]ethanone |
| CAS Registry Number |
1911-78-0 |
| Classification |
Chemical, sesquiterpene |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
238.193280075 u |
| Formula |
C15H26O2 |
| InChI |
InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3/t11?,12?,13-,14-,15-/m1/s1 |
| InChIKey |
WLXJHVQYKOJBBN-CLACGNGHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
238.371 g/mol |
| Nominal Mass |
238 u |
| Quality |
994 |
| Retention Index |
1749 |
| SMILES |
O[C@]1([C@]2([C@](C(CC1)C(C)C)(C(CC2)C(=O)C)[H])[H])C |
| SPLASH |
splash10-0f76-7900000000-9deaf98b701275e9106d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Oplopanone
1-((3aR,4R,7aS)-4-hydroxy-4-methyl-7-(propan-2-yl)octahydro-1H-inden-1-yl)ethan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022132 |
![1-[(1S,3aR,4R,7S,7aS)-4-Hydroxy-7-isopropyl-4-methyloctahydro-1H-inden-1-yl]ethanone](/api/spectrum/LpeujkRSPlr/structure.png?h=300&w=458 "1-[(1S,3aR,4R,7S,7aS)-4-Hydroxy-7-isopropyl-4-methyloctahydro-1H-inden-1-yl]ethanone")
