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De-A,B-8-oxo-23,24-dinorcholan-22-al

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

De-A,B-8-oxo-23,24-dinorcholan-22-al
SpectraBase Compound ID 5nNeFgGxaKN
InChI InChI=1S/C13H20O2/c1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2/h8-11H,3-7H2,1-2H3/t9?,10-,11+,13-/m1/s1
InChIKey LPTQVIITJRWPRO-JAUFEGHXSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GlTeF5iTxFe
Name de-A,B-8-oxo-23,24-Dinorcholan-22-al
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.146329882 u
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2/h8-11H,3-7H2,1-2H3/t9?,10-,11+,13-/m1/s1
InChIKey LPTQVIITJRWPRO-JAUFEGHXSA-N
Molecular Weight 208.301 g/mol
SMILES [C@]12([C@@](CC[C@@]2(C(C=O)C)[H])(C(=O)CCC1)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851369