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(E)-6-Hydroxy-5-methylpentadec-7-en-3-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E)-6-Hydroxy-5-methylpentadec-7-en-3-one
SpectraBase Compound ID 4O9HOAoCo6S
InChI InChI=1S/C16H30O2/c1-4-6-7-8-9-10-11-12-16(18)14(3)13-15(17)5-2/h11-12,14,16,18H,4-10,13H2,1-3H3/b12-11+
InChIKey PRRCOUCPBWVMTH-VAWYXSNFSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5NOnREmGWym
Name (E)-6-Hydroxy-5-methylpentadec-7-en-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.224580204 u
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-4-6-7-8-9-10-11-12-16(18)14(3)13-15(17)5-2/h11-12,14,16,18H,4-10,13H2,1-3H3/b12-11+
InChIKey PRRCOUCPBWVMTH-VAWYXSNFSA-N
Molecular Weight 254.414 g/mol
SMILES C(C)C(CC(C(\C=C\CCCCCCC)O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904241