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1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-4-(1-methylethyl)-7-phenyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID 37lnHxjNoyj
InChI InChI=1S/C18H21NO2/c1-11(2)13-9-10-14(12-7-5-4-6-8-12)16-15(13)17(20)19(3)18(16)21/h4-11,13-16H,1-3H3/t13-,14+,15+,16-/m1/s1
InChIKey FZUHQCBVBISDAB-FXUDXRNXSA-N
Mol Weight 283.37 g/mol
Molecular Formula C18H21NO2
Exact Mass 283.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2gFXv3P2bs
Name 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-4-(1-methylethyl)-7-phenyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-(.+-.)-
CAS Registry Number 81757-63-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO2
InChI InChI=1S/C18H21NO2/c1-11(2)13-9-10-14(12-7-5-4-6-8-12)16-15(13)17(20)19(3)18(16)21/h4-11,13-16H,1-3H3/t13-,14+,15+,16-/m1/s1
InChIKey FZUHQCBVBISDAB-FXUDXRNXSA-N
Molecular Weight 283.371 g/mol
SMILES C1(N(C([C@]2([C@](C=C[C@]([C@@]12[H])(c1ccccc1)[H])(C(C)C)[H])[H])=O)C)=O
SPLASH splash10-00di-1900000000-2dcc3301b815ddf36632
Source of Spectrum B-35-579-0
Synonyms (3aS,4S,7R,7aR)-4-isopropyl-2-methyl-7-phenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 4-Isopropyl-7-phenyl-4,7-dihydroisoindole-1,3(7aH,3aH)-dione
Wiley ID 1287146