| SpectraBase Spectrum ID |
GFWetWNcgtk |
| Name |
1-Naphthalenecarboxylic acid, 1,4,4A,5,8,8A-hexahydro-6,8A-dimethyl-5,8-dioxo-, methyl ester, (1.alpha.,4A.alpha.,8A.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.104858991 u |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c1-8-7-11(15)14(2)9(12(8)16)5-4-6-10(14)13(17)18-3/h4,6-7,9-10H,5H2,1-3H3/t9-,10-,14-/m0/s1 |
| InChIKey |
OTSXSFOYLNEUTH-BHDSKKPTSA-N |
| Molecular Weight |
248.278 g/mol |
| SMILES |
[C@]12(C(C=C(C([C@@]2(CC=C[C@]1(C(=O)OC)[H])[H])=O)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803815 |
