| SpectraBase Spectrum ID |
6TXRnlwEM5S |
| Name |
Methyl 6-(1,3-dimethyl-2-oxocyclohex-3-en-1-yl)-4-methylhex-4-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.172544630 u |
| Formula |
C16H24O3 |
| InChI |
InChI=1S/C16H24O3/c1-12(7-8-14(17)19-4)9-11-16(3)10-5-6-13(2)15(16)18/h6,9H,5,7-8,10-11H2,1-4H3/b12-9- |
| InChIKey |
QPGNOJFSNSITAH-XFXZXTDPSA-N |
| Molecular Weight |
264.365 g/mol |
| SMILES |
C(CC\C(=C/CC1(C(C(=CCC1)C)=O)C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846689 |
