SpectraBase Spectrum ID |
KEZ5LdHgccK |
Name |
(Z)-6-Methyl-heptadec-5-en-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
266.260965714 u |
Formula |
C18H34O |
InChI |
InChI=1S/C18H34O/c1-4-5-6-7-8-9-10-11-12-14-17(2)15-13-16-18(3)19/h15H,4-14,16H2,1-3H3/b17-15- |
InChIKey |
PEWKLPCTSTVCNV-ICFOKQHNSA-N |
Molecular Weight |
266.469 g/mol |
SMILES |
C(\C=C/(CCCCCCCCCCC)C)CC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964694 |