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2-Nonacosanone, 3,11-dimethyl-

View entire compound with spectra: 3 MS (GC)

2-Nonacosanone, 3,11-dimethyl-
SpectraBase Compound ID 9LKcYLbjRSQ
InChI InChI=1S/C31H62O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29(2)27-24-21-19-22-25-28-30(3)31(4)32/h29-30H,5-28H2,1-4H3
InChIKey GQJLFAGGBJJGDA-UHFFFAOYSA-N
Mol Weight 450.8 g/mol
Molecular Formula C31H62O
Exact Mass 450.480067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRYDr8xIuYP
Name 2-Nonacosanone, 3,11-dimethyl-
Alternate Name(s) 3,11-Dimethyl-2-nonacosanone 3,11-Dimethylnonacosan-2-one 3,11-Dimethylnonacosanone AI3-36735
CAS Registry Number 53623-10-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H62O
InChI InChI=1S/C31H62O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29(2)27-24-21-19-22-25-28-30(3)31(4)32/h29-30H,5-28H2,1-4H3
InChIKey GQJLFAGGBJJGDA-UHFFFAOYSA-N
Molecular Weight 450.836 g/mol
SMILES CC(C(CCCCCCCC(CCCCCCCCCCCCCCCCCC)C)C)=O
SPLASH splash10-00di-9000000000-13dd693b3b5e30520dd4
Source of Spectrum J-40-3458-0
Wiley ID 1387877