SpectraBase Spectrum ID |
KdZD8MGi0Ys |
Name |
7-Ethyl-4-pentadecen-6-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.245315649 u |
Formula |
C17H32O |
InChI |
InChI=1S/C17H32O/c1-4-7-9-10-11-13-14-16(6-3)17(18)15-12-8-5-2/h12,15-16H,4-11,13-14H2,1-3H3/b15-12+ |
InChIKey |
ROXUSSUCJYSSDP-NTCAYCPXSA-N |
Molecular Weight |
252.442 g/mol |
SMILES |
C(CCCCCCCC)(C(\C=C\CCC)=O)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940536 |