| SpectraBase Spectrum ID |
3U2CWVJ0JqV |
| Name |
3-(E-1'-Octen-7'-olyl)-cyclopentanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.161979946 u |
| Formula |
C13H22O2 |
| InChI |
InChI=1S/C13H22O2/c1-11(14)6-4-2-3-5-7-12-8-9-13(15)10-12/h5,7,11-12,14H,2-4,6,8-10H2,1H3/b7-5+ |
| InChIKey |
JZJNQPOXNYYLCD-FNORWQNLSA-N |
| Molecular Weight |
210.317 g/mol |
| SMILES |
C1(=O)CC(\C=C\CCCCC(O)C)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945584 |
