| SpectraBase Spectrum ID |
CqVMf78bg6N |
| Name |
(-)-(5-S,6-R,9-S)-2-acetyl-5-hydroxy-6-isopropyl-9-methylbicyclo-[4.3.0]-non-1-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-8(2)11-6-5-9(3)14-13(10(4)16)12(17)7-15(11,14)18/h8-9,11,18H,5-7H2,1-4H3/t9-,11+,15-/m0/s1 |
| InChIKey |
ZXOVBVILSUHNJX-ISOBSLSZSA-N |
| Molecular Weight |
250.338 g/mol |
| SMILES |
C1(=O)C(=C2[C@@](C1)(O)[C@](CC[C@@]2(C)[H])(C(C)C)[H])C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871943 |
![(-)-(5S,6R,9S)-2-Acetyl-5-hydroxy-6-isopropyl-9-methylbicyclo-[4.3.0]non-1-en-3-one](/api/spectrum/CqVMf78bg6N/structure.png?h=300&w=458 "(-)-(5S,6R,9S)-2-Acetyl-5-hydroxy-6-isopropyl-9-methylbicyclo-[4.3.0]non-1-en-3-one")
