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2-[(1S,2R)-2-[(E)-2-cyano-2-(N-methylanilino)ethenyl]-2,3-dihydro-1H-inden-1-yl]acetic acid methyl ester
SpectraBase Compound ID DBIiHo527yD
InChI InChI=1S/C22H22N2O2/c1-24(18-9-4-3-5-10-18)19(15-23)13-17-12-16-8-6-7-11-20(16)21(17)14-22(25)26-2/h3-11,13,17,21H,12,14H2,1-2H3/b19-13+/t17-,21-/m0/s1
InChIKey SUVGFCOLENWJPE-JAAUEDEYSA-N
Mol Weight 346.43 g/mol
Molecular Formula C22H22N2O2
Exact Mass 346.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8AAOUc9MQH
Name 2-[(1S,2R)-2-[(E)-2-cyano-2-(N-methylanilino)ethenyl]-2,3-dihydro-1H-inden-1-yl]acetic acid methyl ester
Alternate Name(s) 2-[(1S,2R)-2-[(E)-2-cyano-2-(N-methylanilino)vinyl]indan-1-yl]acetic acid methyl ester methyl 2-[(1S,2R)-2-[(E)-2-cyano-2-(N-methylanilino)ethenyl]-2,3-dihydro-1H-inden-1-yl]acetate methyl 2-[(1S,2R)-2-[(E)-2-cyano-2-(N-methylanilino)vinyl]indan-1-yl]acetate methyl 2-[(1S,2R)-2-[(E)-2-cyano-2-[methyl(phenyl)amino]ethenyl]-2,3-dihydro-1H-inden-1-yl]ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C22H22N2O2
InChI InChI=1S/C22H22N2O2/c1-24(18-9-4-3-5-10-18)19(15-23)13-17-12-16-8-6-7-11-20(16)21(17)14-22(25)26-2/h3-11,13,17,21H,12,14H2,1-2H3/b19-13+/t17-,21-/m0/s1
InChIKey SUVGFCOLENWJPE-JAAUEDEYSA-N
Molecular Weight 346.430 g/mol
SMILES [C@]1(\C=C/(N(c2ccccc2)C)C#N)([C@@](c2ccccc2C1)(CC(=O)OC)[H])[H]
SPLASH splash10-00dj-0095000000-7d033aec3eac07e3b628
Source of Spectrum KC-0-886-27
Wiley ID 783551