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Cholestan-3,6-dione

View entire compound with spectra: 4 MS (GC)

Cholestan-3,6-dione
SpectraBase Compound ID 7rBIsgJ2Lej
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-18,20-24H,6-16H2,1-5H3
InChIKey LNGLEOIUQBVRRY-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HK3kln2TV66
Name Cholestan-3,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-18,20-24H,6-16H2,1-5H3
InChIKey LNGLEOIUQBVRRY-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 400.647 g/mol
SMILES C(C)(CCCC(C)C)C1C2(C)C(CC1)C1C(CC2)C2(C(C(C1)=O)CC(CC2)=O)C
SPLASH splash10-0udi-3893300000-d2a3e7fbe5c26198272d
Source of Spectrum SRH-2022-7251-0
Wiley ID 1829050