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Des-A,B-cholestan-8-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Des-A,B-cholestan-8-one
SpectraBase Compound ID A31unj86vLB
InChI InChI=1S/C18H32O/c1-13(2)7-5-8-14(3)15-10-11-16-17(19)9-6-12-18(15,16)4/h13-16H,5-12H2,1-4H3/t14-,15?,16+,18-/m1/s1
InChIKey ATMUYWZMPLKPEJ-OJISTFMOSA-N
Mol Weight 264.5 g/mol
Molecular Formula C18H32O
Exact Mass 264.245316 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2aqMuBACdAI
Name des-A,B-Cholestan-8-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.245315649 u
Formula C18H32O
InChI InChI=1S/C18H32O/c1-13(2)7-5-8-14(3)15-10-11-16-17(19)9-6-12-18(15,16)4/h13-16H,5-12H2,1-4H3/t14-,15?,16+,18-/m1/s1
InChIKey ATMUYWZMPLKPEJ-OJISTFMOSA-N
Molecular Weight 264.453 g/mol
SMILES [C@]12([C@@](CCC2[C@@](CCCC(C)C)(C)[H])(C(=O)CCC1)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957167