For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Androst-4-en-3-one, 17-bromo-, (17.alpha.)-
SpectraBase Compound ID 99ykhqfzXy5
InChI InChI=1S/C19H27BrO/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
InChIKey ZKHVCEBMNHTVCM-KZYORJDKSA-N
Mol Weight 351.33 g/mol
Molecular Formula C19H27BrO
Exact Mass 350.124528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HvGBbRuSxWk
Name Androst-4-en-3-one, 17-bromo-, (17.alpha.)-
Alternate Name(s) (17alpha)-17-bromoandrost-4-en-3-one 17.alpha.-bromo-androst-4-ene-3-one 17.alpha.-bromoandrost-4-en-3-one Androst-4-en-3-one, 17.alpha.-bromo-
CAS Registry Number 59967-13-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27BrO
InChI InChI=1S/C19H27BrO/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
InChIKey ZKHVCEBMNHTVCM-KZYORJDKSA-N
Molecular Weight 351.328 g/mol
SMILES [C@@]12(C(=CC(CC2)=O)CC[C@]2([C@@]3(CC[C@]([C@]3(CC[C@]12[H])C)(Br)[H])[H])[H])C
SPLASH splash10-0fk9-0097000000-38b5f1a95dd7875b624f
Source of Spectrum AC-1976-175-0
Wiley ID 1341939