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7-Ethyl-4-pentadecen-6-one
SpectraBase Compound ID AflqesOgit4
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
Mol Weight 252.4 g/mol
Molecular Formula C17H32O
Exact Mass 252.245316 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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