| SpectraBase Spectrum ID |
D5igxeVwWO3 |
| Name |
(3S,4S,5S)-1-Formyl-5,9-dimethyl-6-hydroxybicyclo[11.1.0]dodeca-1,9-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-11-4-3-5-12(10-16)8-13-9-15(13,2)14(17)7-6-11/h4,8,10,13-14,17H,3,5-7,9H2,1-2H3/b11-4+,12-8+/t13-,14+,15+/m1/s1 |
| InChIKey |
HLMCIXCJYXTZPQ-QAFSZGABSA-N |
| Molecular Weight |
234.339 g/mol |
| SMILES |
[C@]12([C@@](\C=C\(C=O)CC\C=C\(CC[C@@]2(O)[H])C)([H])C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862429 |
![(3S,4S,5S)-1-Formyl-5,9-dimethyl-6-hydroxybicyclo[11.1.0]dodeca-1,9-diene](/api/spectrum/D5igxeVwWO3/structure.png?h=300&w=458 "(3S,4S,5S)-1-Formyl-5,9-dimethyl-6-hydroxybicyclo[11.1.0]dodeca-1,9-diene")
