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Estra-1,3,5(10)-trien-17-one, 1-methyl-
SpectraBase Compound ID GNUskwubaai
InChI InChI=1S/C19H24O/c1-12-4-3-5-13-6-7-14-15(18(12)13)10-11-19(2)16(14)8-9-17(19)20/h3-5,14-16H,6-11H2,1-2H3/t14-,15+,16+,19+/m1/s1
InChIKey RVZSZUJFKWUDLA-DRMAHVMPSA-N
Mol Weight 268.4 g/mol
Molecular Formula C19H24O
Exact Mass 268.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPIBBVRzg1i
Name Estra-1,3,5(10)-trien-17-one, 1-methyl-
CAS Registry Number 963-81-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O
InChI InChI=1S/C19H24O/c1-12-4-3-5-13-6-7-14-15(18(12)13)10-11-19(2)16(14)8-9-17(19)20/h3-5,14-16H,6-11H2,1-2H3/t14-,15+,16+,19+/m1/s1
InChIKey RVZSZUJFKWUDLA-DRMAHVMPSA-N
Molecular Weight 268.400 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])c(ccc4)C)[H])(CCC1=O)[H])C
SPLASH splash10-014i-0950000000-e2bc0dabace1670e46a4
Source of Spectrum KO-5-85-1
Synonyms 1-Methyl-oestra-1,3,5(10)trien-17-one 1-Methylestra-1,3,5(10)-trien-17-one
Wiley ID 1272784