| SpectraBase Spectrum ID |
EK22yxQaf2N |
| Name |
(E)-3-(3-Ketocyclohexyl)acrylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
182.094294308 u |
| Formula |
C10H14O3 |
| InChI |
InChI=1S/C10H14O3/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h5-6,8H,2-4,7H2,1H3/b6-5+ |
| InChIKey |
GFLHMAWEUYCMQI-AATRIKPKSA-N |
| Molecular Weight |
182.219 g/mol |
| SMILES |
C(\C=C\C1CC(=O)CCC1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967972 |
