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Estra-1,3,5(10)-trien-17-one, 1-methyl-, oxime
SpectraBase Compound ID J3QUbU4Of0W
InChI InChI=1S/C19H25NO/c1-12-4-3-5-13-6-7-14-15(18(12)13)10-11-19(2)16(14)8-9-17(19)20-21/h3-5,14-16,21H,6-11H2,1-2H3/b20-17+/t14-,15+,16+,19+/m1/s1
InChIKey USSPQKGEQHLUKG-RJPNHMPTSA-N
Mol Weight 283.41 g/mol
Molecular Formula C19H25NO
Exact Mass 283.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVBxkFT0W2J
Name Estra-1,3,5(10)-trien-17-one, 1-methyl-, oxime
Alternate Name(s) 1-Methylestra-1,3,5(10)-trien-17-one oxime Oxime of 1-methyl-oestra-1,3,5(10)trien-17-one
CAS Registry Number 54047-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO
InChI InChI=1S/C19H25NO/c1-12-4-3-5-13-6-7-14-15(18(12)13)10-11-19(2)16(14)8-9-17(19)20-21/h3-5,14-16,21H,6-11H2,1-2H3/b20-17+/t14-,15+,16+,19+/m1/s1
InChIKey USSPQKGEQHLUKG-RJPNHMPTSA-N
Molecular Weight 283.415 g/mol
SMILES O\N=C\1[C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])c(ccc4)C)[H])(CC1)[H])C
SPLASH splash10-0159-0950000000-5d32dc15fd2900738261
Source of Spectrum KO-5-85-1
Wiley ID 1287211