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Cyclopropanecarboxylic acid, 1-cyano-3-(4-methoxyphenyl)-2-methyl-2-phenyl-, methyl ester, (1.alpha.,2.beta.,3.beta.)-
SpectraBase Compound ID 1BcFD22VfL7
InChI InChI=1S/C20H19NO3/c1-19(15-7-5-4-6-8-15)17(20(19,13-21)18(22)24-3)14-9-11-16(23-2)12-10-14/h4-12,17H,1-3H3/t17-,19+,20-/m1/s1
InChIKey IXQLTRXCXPSLQO-YZGWKJHDSA-N
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFIS1xKFpD7
Name Cyclopropanecarboxylic acid, 1-cyano-3-(4-methoxyphenyl)-2-methyl-2-phenyl-, methyl ester, (1.alpha.,2.beta.,3.beta.)-
CAS Registry Number 117918-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO3
InChI InChI=1S/C20H19NO3/c1-19(15-7-5-4-6-8-15)17(20(19,13-21)18(22)24-3)14-9-11-16(23-2)12-10-14/h4-12,17H,1-3H3/t17-,19+,20-/m1/s1
InChIKey IXQLTRXCXPSLQO-YZGWKJHDSA-N
Molecular Weight 321.376 g/mol
SMILES [C@@]1([C@](c2ccccc2)(C)[C@]1(c1ccc(cc1)OC)[H])(C(=O)OC)C#N
SPLASH splash10-01w0-0094000000-f3e23440b78edd9cf5f4
Source of Spectrum J-54-638-0
Synonyms Methyl (1S,2R,3R)-1-cyano-3-(4-methoxyphenyl)-2-methyl-2-phenylcyclopropanecarboxylate
Wiley ID 1321063