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1-Decen-3-one, 5-hydroxy-4-pentyl-1-phenyl-, (E)-

View entire compound with spectra: 1 NMR, and 1 FTIR

1-Decen-3-one, 5-hydroxy-4-pentyl-1-phenyl-, (E)-
SpectraBase Compound ID L2F4UPJAIKa
InChI InChI=1S/C21H32O2/c1-3-5-8-14-19(20(22)15-9-6-4-2)21(23)17-16-18-12-10-7-11-13-18/h7,10-13,16-17,19-20,22H,3-6,8-9,14-15H2,1-2H3/b17-16+
InChIKey RUNDEMUMGXJIOC-WUKNDPDISA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CvSENtV9Dhw
Name 1-Decen-3-one, 5-hydroxy-4-pentyl-1-phenyl-, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.240230268 u
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-3-5-8-14-19(20(22)15-9-6-4-2)21(23)17-16-18-12-10-7-11-13-18/h7,10-13,16-17,19-20,22H,3-6,8-9,14-15H2,1-2H3/b17-16+
InChIKey RUNDEMUMGXJIOC-WUKNDPDISA-N
Molecular Weight 316.485 g/mol
SMILES C1=C(C=CC=C1)\C=C\C(C(C(CCCCC)O)CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947383