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Androst-4-en-3-one-6-d, (6.beta.)-
SpectraBase Compound ID BOshP2Q606P
InChI InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1/i5D/t5-,15+,16+,17+,18+,19+/m1
InChIKey MSEZLHAVPJYYIQ-SZVKWPACSA-N
Mol Weight 273.44 g/mol
Molecular Formula C19H272DO
Exact Mass 273.220292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ieBLnSwuME
Name Androst-4-en-3-one-6-d, (6.beta.)-
CAS Registry Number 54594-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27DO
InChI InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1/i5D/t5-,15+,16+,17+,18+,19+/m1
InChIKey MSEZLHAVPJYYIQ-SZVKWPACSA-N
Molecular Weight 273.438 g/mol
SMILES [C@@]12(C(=CC(CC2)=O)[C@]([2D])(C[C@@]2([C@@]1(CC[C@@]1(CCC[C@@]21[H])C)[H])[H])[H])C
SPLASH splash10-004j-0930000000-f8f75d36720f91e6c2f2
Source of Spectrum AN-85-341-0
Synonyms 6.beta.-deuterio 4-androstene-3-one
Wiley ID 1276699