| SpectraBase Spectrum ID |
DpocA4B5i8S |
| Name |
(1S,4ar,8ar)-6-Formyl-1,4A-dimethyl-2,3,4,7,8,8A-hexahydronaphthalene-1-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-13-6-3-7-14(2,12(16)17)11(13)5-4-10(8-13)9-15/h8-9,11H,3-7H2,1-2H3,(H,16,17)/t11-,13-,14+/m1/s1 |
| InChIKey |
IFJPLGPKWWYSHR-BNOWGMLFSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
[C@@]12([C@]([C@](C(=O)O)(C)CCC2)(CCC(=C1)C=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932254 |
