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Cyclopropanecarboxylic acid, 1-cyano-2-methyl-3-(4-nitrophenyl)-2-phenyl-, methyl ester, (1.alpha.,2.beta.,3.beta.)-
SpectraBase Compound ID HMeRZ4qVAOZ
InChI InChI=1S/C19H16N2O4/c1-18(14-6-4-3-5-7-14)16(19(18,12-20)17(22)25-2)13-8-10-15(11-9-13)21(23)24/h3-11,16H,1-2H3/t16-,18+,19-/m1/s1
InChIKey RDGDOHGYHBFPBY-NZSAHSFTSA-N
Mol Weight 336.35 g/mol
Molecular Formula C19H16N2O4
Exact Mass 336.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86TkgIxTr0R
Name Cyclopropanecarboxylic acid, 1-cyano-2-methyl-3-(4-nitrophenyl)-2-phenyl-, methyl ester, (1.alpha.,2.beta.,3.beta.)-
CAS Registry Number 117918-87-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O4
InChI InChI=1S/C19H16N2O4/c1-18(14-6-4-3-5-7-14)16(19(18,12-20)17(22)25-2)13-8-10-15(11-9-13)21(23)24/h3-11,16H,1-2H3/t16-,18+,19-/m1/s1
InChIKey RDGDOHGYHBFPBY-NZSAHSFTSA-N
Molecular Weight 336.347 g/mol
SMILES [C@@]1([C@](c2ccccc2)(C)[C@]1(c1ccc(N(=O)=O)cc1)[H])(C(=O)OC)C#N
SPLASH splash10-001i-0090000000-fbe5801ce3c8ea1e3f85
Source of Spectrum J-54-638-0
Synonyms Methyl (1S,2R,3R)-1-cyano-2-methyl-3-(4-nitrophenyl)-2-phenylcyclopropanecarboxylate
Wiley ID 1332389