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1H-Isoindole-1,3(2H)-dione, 4-(acetyloxy)hexahydro-3a,7a-dimethyl-2-phenyl-, [3as-(3a.alpha.,4.beta.,7a.alpha.)]-
SpectraBase Compound ID KhwkYcnKMPC
InChI InChI=1S/C18H21NO4/c1-12(20)23-14-10-7-11-17(2)15(21)19(16(22)18(14,17)3)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-11H2,1-3H3
InChIKey NIMXJPVWDBWULH-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aSeqlThMVC
Name 1H-Isoindole-1,3(2H)-dione, 4-(acetyloxy)hexahydro-3a,7a-dimethyl-2-phenyl-, [3as-(3a.alpha.,4.beta.,7a.alpha.)]-
Alternate Name(s) 3a,7a-Dimethyl-1,3-dioxo-2-phenyloctahydro-1H-isoindol-4-yl acetate (3a,7a-dimethyl-1,3-dioxo-2-phenyl-4,5,6,7-tetrahydroisoindol-4-yl) acetate Acetic acid (1,3-diketo-3a,7a-dimethyl-2-phenyl-4,5,6,7-tetrahydroisoindol-4-yl) ester Acetic acid (3a,7a-dimethyl-1,3-dioxo-2-phenyl-4,5,6,7-tetrahydroisoindol-4-yl) ester
CAS Registry Number 54345-98-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-12(20)23-14-10-7-11-17(2)15(21)19(16(22)18(14,17)3)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-11H2,1-3H3
InChIKey NIMXJPVWDBWULH-UHFFFAOYSA-N
Molecular Weight 315.369 g/mol
SMILES CC(=O)OC1CCCC2(C)C(N(c3ccccc3)C(C12C)=O)=O
SPLASH splash10-0udl-9262000000-a9b5724b3010084d2a35
Source of Spectrum H-57-50-8
Wiley ID 1316002