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13,17-Seco-18-nor-17-homo-androsta-13,17-dione

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

13,17-Seco-18-nor-17-homo-androsta-13,17-dione
SpectraBase Compound ID 83OxIRfqxtL
InChI InChI=1S/C19H30O2/c1-13(20)6-8-16-15-9-7-14-5-3-4-12-19(14,2)17(15)10-11-18(16)21/h14-17H,3-12H2,1-2H3/t14?,15?,16?,17?,19-/m0/s1
InChIKey ZJNILZBNVIYZFG-JXDCGSQQSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J8qsSmY4YZN
Name 13,17-Seco-18-nor-17-homo-androsta-13,17-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.224580204 u
Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-13(20)6-8-16-15-9-7-14-5-3-4-12-19(14,2)17(15)10-11-18(16)21/h14-17H,3-12H2,1-2H3/t14?,15?,16?,17?,19-/m0/s1
InChIKey ZJNILZBNVIYZFG-JXDCGSQQSA-N
SMILES C12[C@@]3(C(CCCC3)CCC1C(C(=O)CC2)CCC(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849704