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(Z)-methyl 3-[(2S*,3S*)-2,3-dihydro-2-(2-methylphenyl)-6-oxo-4-phenylpyrid-3-yl]propenoate
SpectraBase Compound ID 8Uz9StfHmK1
InChI InChI=1S/C22H21NO3/c1-15-8-6-7-11-17(15)22-18(12-13-21(25)26-2)19(14-20(24)23-22)16-9-4-3-5-10-16/h3-14,18,22H,1-2H3,(H,23,24)/b13-12-/t18-,22+/m0/s1
InChIKey YSISMKBVMLZCKB-VGMVOQPZSA-N
Mol Weight 347.41 g/mol
Molecular Formula C22H21NO3
Exact Mass 347.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDJ9IvIvUGl
Name (Z)-methyl 3-[(2S*,3S*)-2,3-dihydro-2-(2-methylphenyl)-6-oxo-4-phenylpyrid-3-yl]propenoate
Alternate Name(s) (Z)-methyl 3-((2S,3S)-6-oxo-4-phenyl-2-(o-tolyl)-1,2,3,6-tetrahydropyridin-3-yl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO3
InChI InChI=1S/C22H21NO3/c1-15-8-6-7-11-17(15)22-18(12-13-21(25)26-2)19(14-20(24)23-22)16-9-4-3-5-10-16/h3-14,18,22H,1-2H3,(H,23,24)/b13-12-/t18-,22+/m0/s1
InChIKey YSISMKBVMLZCKB-VGMVOQPZSA-N
Literature Reference DOI 10.1021/ol202046y
Molecular Weight 347.414 g/mol
SMILES N1[C@@]([C@](C(=CC1=O)c1ccccc1)(\C=C/C(OC)=O)[H])(c1c(cccc1)C)[H]
SPLASH splash10-00kg-0934000000-c59a0c9289be6002aa74
Source of Spectrum A1-13-5172/SMS19-13c
Wiley ID 1753759