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3-Methoxy-[1'H]-5'-(methylthio)pyrazolo[17,16-c]estra-1,3,5(6)-triene
SpectraBase Compound ID EqlIXA2lveP
InChI InChI=1S/C21H26N2OS/c1-21-9-8-15-14-7-5-13(24-2)10-12(14)4-6-16(15)18(21)11-17-19(21)22-23-20(17)25-3/h4-5,7,10,14-16,18H,6,8-9,11H2,1-3H3,(H,22,23)
InChIKey GFFQIILLCIRARU-UHFFFAOYSA-N
Mol Weight 354.51 g/mol
Molecular Formula C21H26N2OS
Exact Mass 354.176585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93e3QZq1uhF
Name 3-Methoxy-[1'H]-5'-(methylthio)pyrazolo[17,16-c]estra-1,3,5(6)-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2OS
InChI InChI=1S/C21H26N2OS/c1-21-9-8-15-14-7-5-13(24-2)10-12(14)4-6-16(15)18(21)11-17-19(21)22-23-20(17)25-3/h4-5,7,10,14-16,18H,6,8-9,11H2,1-3H3,(H,22,23)
InChIKey GFFQIILLCIRARU-UHFFFAOYSA-N
Molecular Weight 354.512 g/mol
SMILES [nH]1nc2c(c1SC)CC1C3C(CCC21C)C1C=CC(=CC1=CC3)OC
SPLASH splash10-0udi-0009000000-380c30d7c2b954b35195
Source of Spectrum SO-0-843-13
Wiley ID 1545861