| SpectraBase Spectrum ID |
5PXZqy4NdOh |
| Name |
(1R,3aR,8aS)-1-acetyl-3a,6-dimethyl-1,2,3,4,6,7,8,8a-octahydroazulen-5-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-9-4-5-12-11(10(2)15)6-7-14(12,3)8-13(9)16/h9,11-12H,4-8H2,1-3H3/t9?,11-,12-,14+/m0/s1 |
| InChIKey |
MRRITDGEZXEEFR-LJSAAOIKSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
[C@@]12([C@]([C@@](C(=O)C)([H])CC2)(CCC(C(C1)=O)C)[H])C |
| SPLASH |
splash10-05fs-6920000000-9c52d2a2912d712ee49f |
| Source of Spectrum |
F-51-12412-19 |
| Synonyms |
(1R,3aR,8aS)-1-ethanoyl-3a,6-dimethyl-1,2,3,4,6,7,8,8a-octahydroazulen-5-one |
| Wiley ID |
794308 |
