| SpectraBase Spectrum ID |
21vCI3FVvY |
| Name |
(1rs,2rs,3rs,8rs)-2-Methyl-7-oxo-bicyclo-[6.4.0(1,8)]-dodecane-3-carboxylic-acid,methylester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.172544630 u |
| Formula |
C15H24O3 |
| InChI |
InChI=1S/C15H24O3/c1-10-11-6-3-4-7-13(11)14(16)9-5-8-12(10)15(17)18-2/h10-13H,3-9H2,1-2H3 |
| InChIKey |
OZDGFDBNBNNXCT-UHFFFAOYSA-N |
| Molecular Weight |
252.354 g/mol |
| SMILES |
C1(=O)C2CCCCC2C(C)C(C(=O)OC)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876287 |
![(1RS, 2RS,3RS,8RS)-2-Methyl-7-oxo-bicyclo-[6.4.0(1,8)]-dodecane-3-carboxylic-acid,methylester](/api/spectrum/21vCI3FVvY/structure.png?h=300&w=458 "(1RS, 2RS,3RS,8RS)-2-Methyl-7-oxo-bicyclo-[6.4.0(1,8)]-dodecane-3-carboxylic-acid,methylester")
