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4-Amino-3-methoxyestra-1,3,5(10)-trien-17-one

View entire compound with spectra: 1 MS (GC)

4-Amino-3-methoxyestra-1,3,5(10)-trien-17-one
SpectraBase Compound ID 8RI4nlW8JZM
InChI InChI=1S/C19H25NO2/c1-19-10-9-12-11-5-7-16(22-2)18(20)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15H,3-4,6,8-10,20H2,1-2H3/t12-,13-,15+,19+/m1/s1
InChIKey LLYYQDZHTOXRGW-BFDPJXHCSA-N
Mol Weight 299.41 g/mol
Molecular Formula C19H25NO2
Exact Mass 299.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fd4189twqxW
Name 4-Amino-3-methoxyestra-1,3,5(10)-trien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO2
InChI InChI=1S/C19H25NO2/c1-19-10-9-12-11-5-7-16(22-2)18(20)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15H,3-4,6,8-10,20H2,1-2H3/t12-,13-,15+,19+/m1/s1
InChIKey LLYYQDZHTOXRGW-BFDPJXHCSA-N
Molecular Weight 299.414 g/mol
SMILES Nc1c2c([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CCC4=O)[H])C)[H])ccc1OC
SPLASH splash10-0002-1191000000-f1782677fc40b0707d6e
Source of Spectrum G-58-2733-0
Wiley ID 748614