| SpectraBase Spectrum ID |
J0QmIsrIyET |
| Name |
(Z)-.alpha.-(1-(3-Phenoxy-1-(E)-propenyl)pentylidene)-.beta.-(N-pentyl)-.beta.-lactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.219494823 u |
| Formula |
C22H30O3 |
| InChI |
InChI=1S/C22H30O3/c1-3-5-8-16-20-21(22(23)25-20)18(12-6-4-2)13-11-17-24-19-14-9-7-10-15-19/h7,9-11,13-15,20H,3-6,8,12,16-17H2,1-2H3/b13-11+,21-18- |
| InChIKey |
KVHPDUVPNNRVTH-HZOBDFBESA-N |
| Molecular Weight |
342.479 g/mol |
| SMILES |
C1(\C(C(O1)CCCCC)=C/(\C=C\COC1=CC=CC=C1)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976399 |
