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N-[(3aS,4R,7aS)-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-[(3aS,4R,7aS)-1,3-bis(oxidanylidene)-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl]-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
SpectraBase Compound ID E8V8PrJbBQG
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-IITNATTFSA-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 9XjGVCoHBFW
Name N-[(3aS,4R,7aS)-1,3-bis(oxidanylidene)-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl]-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-IITNATTFSA-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 splash10-0a4l-3941100000-17dafadc992a24a2396d
Source of Spectrum K-2002-78-2
Synonyms N-[(3aS,4R,7aS)-1,3-diketo-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl]-2,2-dimethyl-N-[(1S)-1-phenylethyl]propionamide N-[(3aS,4R,7aS)-1,3-dioxo-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl]-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
Wiley ID 1580596