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2-PHENYL-2-(2-PIVALOYL-AMIDOPHENYL)-PENT-4-ENOIC-ACID
SpectraBase Compound ID Il39yRTnvuy
InChI InChI=1S/C22H25NO3/c1-5-15-22(20(25)26,16-11-7-6-8-12-16)17-13-9-10-14-18(17)23-19(24)21(2,3)4/h5-14H,1,15H2,2-4H3,(H,23,24)(H,25,26)
InChIKey WSXPWBHIZXXUGD-UHFFFAOYSA-N
Mol Weight 351.45 g/mol
Molecular Formula C22H25NO3
Exact Mass 351.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oAaIf7yBeM
Name Benzeneacetic acid, 2-[(2,2-dimethyl-1-oxopropyl)amino]-.alpha.-phenyl-.alpha.-2-propenyl -
Alternate Name(s) 2-Phenyl-2-(2-pivaloylamidophenyl)pent-4-enoic acid 2-{2-[(2,2-dimethylpropanoyl)amino]phenyl}-2-phenyl-4-pentenoic acid
CAS Registry Number 85852-09-1
Comments Less than 3 mono-isotopic peaks
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Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-5-15-22(20(25)26,16-11-7-6-8-12-16)17-13-9-10-14-18(17)23-19(24)21(2,3)4/h5-14H,1,15H2,2-4H3,(H,23,24)(H,25,26)
InChIKey WSXPWBHIZXXUGD-UHFFFAOYSA-N
Molecular Weight 351.446 g/mol
SMILES N(C(C(C)(C)C)=O)c1c(C(C(=O)O)(c2ccccc2)CC=C)cccc1
SPLASH splash10-0pb9-0095000000-afef5a3076707f8837f0
Source of Spectrum I-61-517-38
Wiley ID 1342726