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Vobasan-17-nitrile, 4-demethyl-19,20-dihydro-3-hydroxy-, (20.alpha.)-
SpectraBase Compound ID 9V8TDnmlVIe
InChI InChI=1S/C19H23N3O/c1-2-12-11-21-19(23)9-15-14-5-3-4-6-17(14)22-18(15)8-7-13(12)16(19)10-20/h3-6,12-13,16,21-23H,2,7-9,11H2,1H3
InChIKey XMGHBFUOROTHHN-UHFFFAOYSA-N
Mol Weight 309.41 g/mol
Molecular Formula C19H23N3O
Exact Mass 309.184112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lb2mIXEO1tw
Name Vobasan-17-nitrile, 4-demethyl-19,20-dihydro-3-hydroxy-, (20.alpha.)-
CAS Registry Number 66086-97-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23N3O
InChI InChI=1S/C19H23N3O/c1-2-12-11-21-19(23)9-15-14-5-3-4-6-17(14)22-18(15)8-7-13(12)16(19)10-20/h3-6,12-13,16,21-23H,2,7-9,11H2,1H3
InChIKey XMGHBFUOROTHHN-UHFFFAOYSA-N
Molecular Weight 309.413 g/mol
SMILES [nH]1c2c(c3c1CCC1C(C(C3)(NCC1CC)O)C#N)cccc2
SPLASH splash10-014l-0960000000-a5efafa82f48dcdc95c1
Source of Spectrum C-100-942-0
Synonyms 15-ethyl-1-hydroxy-10,17-diazatetracyclo[12.3.1.0(3,11).0(4,9)]octadeca-3(11),4,6,8-tetraene-18-carbonitrile 16(S)-cyano-16-decarbomethoxy-19,20(S)-dihydroperivinol 2,6-Methano-1H-azecino[5,4-b]indole, vobasan-17-nitrile deriv.
Wiley ID 1310799