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Cyclopropanecarboxylic acid, 1-cyano-2-methyl-3-(4-methylphenyl)-2-phenyl-, methyl ester, (1.alpha.,2.beta.,3.beta.)-
SpectraBase Compound ID BBaPJQHR8Ae
InChI InChI=1S/C20H19NO2/c1-14-9-11-15(12-10-14)17-19(2,16-7-5-4-6-8-16)20(17,13-21)18(22)23-3/h4-12,17H,1-3H3/t17-,19+,20-/m1/s1
InChIKey PXTIHIALYMJERD-YZGWKJHDSA-N
Mol Weight 305.38 g/mol
Molecular Formula C20H19NO2
Exact Mass 305.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gi5uzk3Yyje
Name Cyclopropanecarboxylic acid, 1-cyano-2-methyl-3-(4-methylphenyl)-2-phenyl-, methyl ester, (1.alpha.,2.beta.,3.beta.)-
CAS Registry Number 117918-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO2
InChI InChI=1S/C20H19NO2/c1-14-9-11-15(12-10-14)17-19(2,16-7-5-4-6-8-16)20(17,13-21)18(22)23-3/h4-12,17H,1-3H3/t17-,19+,20-/m1/s1
InChIKey PXTIHIALYMJERD-YZGWKJHDSA-N
Molecular Weight 305.377 g/mol
SMILES [C@@]1([C@](c2ccccc2)(C)[C@]1(c1ccc(cc1)C)[H])(C(=O)OC)C#N
SPLASH splash10-0udi-0933000000-5b40b8dae99e68de0ee3
Source of Spectrum J-54-638-0
Synonyms Methyl (1S,2R,3R)-1-cyano-2-methyl-3-(4-methylphenyl)-2-phenylcyclopropanecarboxylate
Wiley ID 1307486