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3H-Pyrazole-4-carboxylic acid, 4-cyano-5-(1,1-diphenylethyl)-4,5-dihydro-3-methyl-3-phenyl-, methyl ester, (3.alpha.,4.alpha.,5.beta.)-

View entire compound with spectra: 1 MS (GC)

3H-Pyrazole-4-carboxylic acid, 4-cyano-5-(1,1-diphenylethyl)-4,5-dihydro-3-methyl-3-phenyl-, methyl ester, (3.alpha.,4.alpha.,5.beta.)-
SpectraBase Compound ID 6tZmjZTRLje
InChI InChI=1S/C27H25N3O2/c1-25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)23-27(19-28,24(31)32-3)26(2,30-29-23)22-17-11-6-12-18-22/h4-18,23H,1-3H3/t23-,26-,27+/m1/s1
InChIKey AFLCTGNLFKFBMD-MVNQZMKCSA-N
Mol Weight 423.52 g/mol
Molecular Formula C27H25N3O2
Exact Mass 423.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BZOaUU3UrX
Name 3H-Pyrazole-4-carboxylic acid, 4-cyano-5-(1,1-diphenylethyl)-4,5-dihydro-3-methyl-3-phenyl-, methyl ester, (3.alpha.,4.alpha.,5.beta.)-
Alternate Name(s) Methyl (3R,4R,5R)-4-cyano-5-(1,1-diphenylethyl)-3-methyl-3-phenyl-4,5-dihydro-3H-pyrazole-4-carboxylate
CAS Registry Number 117918-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N3O2
InChI InChI=1S/C27H25N3O2/c1-25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)23-27(19-28,24(31)32-3)26(2,30-29-23)22-17-11-6-12-18-22/h4-18,23H,1-3H3/t23-,26-,27+/m1/s1
InChIKey AFLCTGNLFKFBMD-MVNQZMKCSA-N
Molecular Weight 423.516 g/mol
SMILES [C@@]1([C@](N=N[C@@]1(c1ccccc1)C)(C(c1ccccc1)(c1ccccc1)C)[H])(C(=O)OC)C#N
SPLASH splash10-0udl-0900000000-057beb575601e64bfb2d
Source of Spectrum J-54-638-0
Wiley ID 1379000