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Diphenoxylate

View entire compound with spectra: 1 FTIR, and 15 MS (GC)

Diphenoxylate
SpectraBase Compound ID B4WW31WuN0A
InChI InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3
InChIKey HYPPXZBJBPSRLK-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C30H32N2O2
Exact Mass 452.246378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zh6QmoA67Z
Name 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester
Alternate Name(s) Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-isonipecotic acid ethyl ester 1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester 2,2-Diphenyl-4-(4-carbethoxy-4-phenylpiperidino)butyronitrile Difenossilato Difenoxilato Diphenoxalate Diphenoxylate Diphenoxylatum Ethyl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate Ethyl-1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester Lomotil BRN 0503374 DEA NO. 9170 EINECS 213-020-1 HSDB 3067
CAS Registry Number 915-30-0
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Formula C30H32N2O2
InChI InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3
InChIKey HYPPXZBJBPSRLK-UHFFFAOYSA-N
Molecular Weight 452.598 g/mol
SMILES C1(C(=O)OCC)(CCN(CC1)CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1
SPLASH splash10-0002-3391000000-fe37b3b8b35ec165b584
Source of Spectrum JZ-1992-5557-0
Wiley ID 1388396