| SpectraBase Spectrum ID |
Jazp8QpwAUs |
| Name |
(Z)-2-Methyl-3-pentyl-4-(1-phenylpropylidene)cyclopent-2-enone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.198365456 u |
| Formula |
C20H26O |
| InChI |
InChI=1S/C20H26O/c1-4-6-8-13-18-15(3)20(21)14-19(18)17(5-2)16-11-9-7-10-12-16/h7,9-12H,4-6,8,13-14H2,1-3H3/b19-17- |
| InChIKey |
IZHKCAVMUIYAEY-ZPHPHTNESA-N |
| Molecular Weight |
282.427 g/mol |
| SMILES |
C1(=C(C)C(=O)C\C1=C/(C=1C=CC=CC1)CC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950974 |
