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N-[(3aR,4S,7aR)-1,3-bis(oxidanylidene)-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl]-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide

View entire compound with spectra: 1 MS (GC)

N-[(3aR,4S,7aR)-1,3-bis(oxidanylidene)-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl]-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
SpectraBase Compound ID 6y2epczxI8E
InChI InChI=1S/C27H30N2O3/c1-18(19-12-7-5-8-13-19)28(26(32)27(2,3)4)22-17-11-16-21-23(22)25(31)29(24(21)30)20-14-9-6-10-15-20/h5-15,17-18,21-23H,16H2,1-4H3/t18-,21+,22-,23+/m0/s1
InChIKey ISLCCVQUWFEBMY-OUFMZXHOSA-N
Mol Weight 430.55 g/mol
Molecular Formula C27H30N2O3
Exact Mass 430.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9NakXnbvhqF
Name N-[(3aR,4S,7aR)-1,3-bis(oxidanylidene)-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl]-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
Alternate Name(s) N-[(3aR,4S,7aR)-1,3-diketo-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl]-2,2-dimethyl-N-[(1S)-1-phenylethyl]propionamide N-[(3aR,4S,7aR)-1,3-dioxo-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl]-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
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Formula C27H30N2O3
InChI InChI=1S/C27H30N2O3/c1-18(19-12-7-5-8-13-19)28(26(32)27(2,3)4)22-17-11-16-21-23(22)25(31)29(24(21)30)20-14-9-6-10-15-20/h5-15,17-18,21-23H,16H2,1-4H3/t18-,21+,22-,23+/m0/s1
InChIKey ISLCCVQUWFEBMY-OUFMZXHOSA-N
Molecular Weight 430.548 g/mol
SMILES C1(N(C([C@@]2(CC=C[C@@]([C@]12[H])(N(C(C(C)(C)C)=O)[C@](c1ccccc1)(C)[H])[H])[H])=O)c1ccccc1)=O
SPLASH splash10-0a4i-5941200000-04ad2c7058352a99276b
Source of Spectrum K-2002-78-3
Wiley ID 1580597