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3.beta.-Bromoandroster-17-one

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

3.beta.-Bromoandroster-17-one
SpectraBase Compound ID 3A1bjrTVPgB
InChI InChI=1S/C19H29BrO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3/t12?,13-,14-,15-,16-,18-,19-/m0/s1
InChIKey VTCZBZSTRGDAOO-QRIARFFBSA-N
Mol Weight 353.34 g/mol
Molecular Formula C19H29BrO
Exact Mass 352.140179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEeu3Vz1V0m
Name 3.beta.-Bromoandroster-17-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.140178553 u
Formula C19H29BrO
InChI InChI=1S/C19H29BrO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3/t12?,13-,14-,15-,16-,18-,19-/m0/s1
InChIKey VTCZBZSTRGDAOO-QRIARFFBSA-N
Molecular Weight 353.344 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])([H])CCC2C[C@](CC1)(Br)[H])[H])C