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Thioxoandrosta-1,4-diene-17-one oxime
SpectraBase Compound ID LfYw2MOyOJ
InChI InChI=1S/C19H25NOS/c1-18-9-7-13(22)11-12(18)3-4-14-15-5-6-17(20-21)19(15,2)10-8-16(14)18/h7,9,11,14-16,21H,3-6,8,10H2,1-2H3/b20-17+/t14-,15-,16-,18-,19-/m0/s1
InChIKey MZVACEGKPDMUSJ-RTGBNFNESA-N
Mol Weight 315.48 g/mol
Molecular Formula C19H25NOS
Exact Mass 315.165686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SDbsOviN02
Name Thioxoandrosta-1,4-diene-17-one oxime
Alternate Name(s) 3-Thioxoandrosta-1,4-dien-17-one oxime
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Formula C19H25NOS
InChI InChI=1S/C19H25NOS/c1-18-9-7-13(22)11-12(18)3-4-14-15-5-6-17(20-21)19(15,2)10-8-16(14)18/h7,9,11,14-16,21H,3-6,8,10H2,1-2H3/b20-17+/t14-,15-,16-,18-,19-/m0/s1
InChIKey MZVACEGKPDMUSJ-RTGBNFNESA-N
Molecular Weight 315.475 g/mol
SMILES O\N=C/1CC[C@]2([C@@]3(CCC4=CC(C=C[C@@]4([C@]3(CC[C@]12C)[H])C)=S)[H])[H]
SPLASH splash10-014j-0079000000-1e42dfe358f5a6d416e2
Source of Spectrum SO-0-1246-10
Wiley ID 1545913