| SpectraBase Spectrum ID |
9oZIKIFgJbU |
| Name |
(Z)-.alpha.-(Phenylethynylpentylidene)-.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 |
310.193280075 u |
| Formula |
C21H26O2 |
| InChI |
InChI=1S/C21H26O2/c1-3-5-8-14-19-20(21(22)23-19)18(13-6-4-2)16-15-17-11-9-7-10-12-17/h7,9-12,19H,3-6,8,13-14H2,1-2H3/b20-18- |
| InChIKey |
OYLADHYJCPVVJP-ZZEZOPTASA-N |
| SMILES |
C1(\C(C(O1)CCCCC)=C/(C#CC1=CC=CC=C1)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970731 |
