| SpectraBase Spectrum ID |
53njSEDOMGy |
| Name |
Cylopentenone-5 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.162708221 u |
| Formula |
C20H23NO4 |
| InChI |
InChI=1S/C20H23NO4/c1-21(2)10-8-14-18-13(5-6-16(24-3)19(18)23)7-9-20(14)11-15(22)17(12-20)25-4/h5-9,12,23H,10-11H2,1-4H3/b14-8+ |
| InChIKey |
KOBWRQSQUWTGLX-RIYZIHGNSA-N |
| Molecular Weight |
341.407 g/mol |
| SMILES |
C12(\C(C=3C(=C(OC)C=CC3C=C2)O)=C\CN(C)C)C=C(OC)C(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910385 |
