| SpectraBase Spectrum ID |
2AyaicXiIMs |
| Name |
Ethyl 5-(1-hydroxycyclohexyl)-5,6-heptadienoate |
| 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/c1-3-13(9-8-10-14(16)18-4-2)15(17)11-6-5-7-12-15/h17H,1,4-12H2,2H3 |
| InChIKey |
OIJOFCPXDWOQTL-UHFFFAOYSA-N |
| Molecular Weight |
252.354 g/mol |
| SMILES |
C(=C=C)(C1(O)CCCCC1)CCCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894923 |
