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1-Heptyl-3-heneicosyl-propane-1,3-diketone
SpectraBase Compound ID GeSLv91EW2o
InChI InChI=1S/C31H60O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-31(33)29-30(32)27-25-23-8-6-4-2/h3-29H2,1-2H3
InChIKey AFUNKBMLTPDWPX-UHFFFAOYSA-N
Mol Weight 464.8 g/mol
Molecular Formula C31H60O2
Exact Mass 464.459331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39R6MSrQ6Ug
Name 1-Heptyl-3-heneicosyl-propane-1,3-diketone
CAS Registry Number 50837-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H60O2
InChI InChI=1S/C31H60O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-31(33)29-30(32)27-25-23-8-6-4-2/h3-29H2,1-2H3
InChIKey AFUNKBMLTPDWPX-UHFFFAOYSA-N
Molecular Weight 464.819 g/mol
SMILES C(C(=O)CCCCCCCCCCCCCCCCCCCCC)C(=O)CCCCCCC
SPLASH splash10-0pdi-4900000000-3d1a7c862ab2158c8b23
Source of Spectrum X2-50-648-1
Wiley ID 1602283