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Heptacosanone
SpectraBase Compound ID C2p4nJN95XJ
InChI InChI=1S/C27H54O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)28/h3-26H2,1-2H3
InChIKey MJEFMWGOVVCQIK-UHFFFAOYSA-N
Mol Weight 394.7 g/mol
Molecular Formula C27H54O
Exact Mass 394.417466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 309zEasIq5p
Name 2-heptacosanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H54O
InChI InChI=1S/C27H54O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)28/h3-26H2,1-2H3
InChIKey MJEFMWGOVVCQIK-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100285
Molecular Weight 394.728 g/mol
SMILES CC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-0a4i-9000000000-2f85f8e9d8a901e467ac
Source of Spectrum CBD-18-SM30-Figure S12-4
Wiley ID 1865223