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2'-Cyano-3-methoxy(carbonyl)benzenoestra-1,3,5(10),6,8,11,14,16-octaene
SpectraBase Compound ID Ekmz7xTltvY
InChI InChI=1S/C24H17NO/c1-24-10-9-20-19-8-6-18(26-2)12-16(19)5-7-21(20)23(24)13-17-4-3-15(14-25)11-22(17)24/h3-13H,1-2H3/t24-/m1/s1
InChIKey KDTGLWNBNPLQTN-XMMPIXPASA-N
Mol Weight 335.41 g/mol
Molecular Formula C24H17NO
Exact Mass 335.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jg3gl9IOsR
Name 2'-Cyano-3-methoxy(carbonyl)benzenoestra-1,3,5(10),6,8,11,14,16-octaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H17NO
InChI InChI=1S/C24H17NO/c1-24-10-9-20-19-8-6-18(26-2)12-16(19)5-7-21(20)23(24)13-17-4-3-15(14-25)11-22(17)24/h3-13H,1-2H3/t24-/m1/s1
InChIKey KDTGLWNBNPLQTN-XMMPIXPASA-N
Molecular Weight 335.406 g/mol
SMILES C1=2[C@@](c3cc(C#N)ccc3C2)(C=Cc2c1ccc1cc(OC)ccc21)C
SPLASH splash10-0079-0019000000-139cbf918f99caf3b785
Source of Spectrum Y2-25-1107-11
Synonyms (6aR)-2-methoxy-6a-methyl-6aH-indeno[2,1-a]phenanthrene-8-carbonitrile 3-Methoxy-2'-cyanobenzoestra-1,3,5(10),6,8,11,14,16-octaene 3-Methoxy-2'-cyanobenzoestra-1,3,5(10),6,8,11,14-octaene
Wiley ID 1547188