| SpectraBase Spectrum ID |
LDkYO8I6BrF |
| Name |
Methyl (1R,2R,8as)-2-(methoxycarbonyl)-2-hydroxy-5,5,8A-trimethyl-trans-decalin-1-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.209324061 u |
| Formula |
C18H30O5 |
| InChI |
InChI=1S/C18H30O5/c1-16(2)8-6-9-17(3)12(16)7-10-18(21,15(20)23-5)13(17)11-14(19)22-4/h12-13,21H,6-11H2,1-5H3 |
| InChIKey |
XGZNYPOTHVOPCT-UHFFFAOYSA-N |
| Molecular Weight |
326.433 g/mol |
| SMILES |
C1CCC2(C(C1(C)C)CCC(C2CC(OC)=O)(O)C(OC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836659 |
