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3-[2-(N-Benzylindol-3-yl)-2-cyano-1-methylthio]ethylidene-2,3-dihydro-1-methyl-2-oxoindole
SpectraBase Compound ID 9tarKJIOPtf
InChI InChI=1S/C28H23N3OS/c1-30-24-14-8-7-13-21(24)26(28(30)32)27(33-2)22(16-29)23-18-31(17-19-10-4-3-5-11-19)25-15-9-6-12-20(23)25/h3-15,18,22H,17H2,1-2H3/b27-26-
InChIKey VSUXLRZGAUAXHX-RQZHXJHFSA-N
Mol Weight 449.57 g/mol
Molecular Formula C28H23N3OS
Exact Mass 449.156184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6N9Mx1KJzrj
Name 3-[2-(N-Benzylindol-3-yl)-2-cyano-1-methylthio]ethylidene-2,3-dihydro-1-methyl-2-oxoindole
Alternate Name(s) (3Z)-2-(1-benzyl-1H-indol-3-yl)-3-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-(methylsulfanyl)propanenitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23N3OS
InChI InChI=1S/C28H23N3OS/c1-30-24-14-8-7-13-21(24)26(28(30)32)27(33-2)22(16-29)23-18-31(17-19-10-4-3-5-11-19)25-15-9-6-12-20(23)25/h3-15,18,22H,17H2,1-2H3/b27-26-
InChIKey VSUXLRZGAUAXHX-RQZHXJHFSA-N
Molecular Weight 449.572 g/mol
SMILES C1(\C(c2c(N1C)cccc2)=C\(C(c1c[n](Cc2ccccc2)c2c1cccc2)C#N)SC)=O
SPLASH splash10-0006-9000300000-e0bce96186aae479c95f
Source of Spectrum F-57-786-14
Wiley ID 1549486