| SpectraBase Spectrum ID |
4lDRsrSKLLx |
| Name |
Acetic acid, 7-isopropenyl-1,4A-dimethyl-3-oxo-2,3,4,4A,5,6,7,8-octahydro-naphthalen-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.203844759 u |
| Formula |
C17H28O3 |
| InChI |
InChI=1S/C12H18O.C3H6.C2H4O2/c1-9-7-10(13)8-12(2)6-4-3-5-11(9)12;1-3-2;1-2(3)4/h3-8H2,1-2H3;3H,1H2,2H3;1H3,(H,3,4) |
| InChIKey |
UMPWNIKQFKEBHQ-UHFFFAOYSA-N |
| Molecular Weight |
280.408 g/mol |
| Nominal Mass |
280 u |
| SMILES |
OC(=O)C.CC=C.C1CCC2(C(=C(C)CC(=O)C2)C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807584 |
