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1H-Isoindole-1,3(2H)-dione, 4-(acetyloxy)hexahydro-3a-methyl-2-phenyl-, [3aR-(3a.alpha.,4.beta.,7a.alpha.)]-
SpectraBase Compound ID 4RN3yejHZNf
InChI InChI=1S/C17H19NO4/c1-11(19)22-14-10-6-9-13-15(20)18(16(21)17(13,14)2)12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-10H2,1-2H3
InChIKey VTPMJRBMRYBUNW-UHFFFAOYSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cnn4xDQCbNn
Name 1H-Isoindole-1,3(2H)-dione, 4-(acetyloxy)hexahydro-3a-methyl-2-phenyl-, [3aR-(3a.alpha.,4.beta.,7a.alpha.)]-
Alternate Name(s) 3a-Methyl-1,3-dioxo-2-phenyloctahydro-1H-isoindol-4-yl acetate (3a-methyl-1,3-dioxo-2-phenyl-5,6,7,7a-tetrahydro-4H-isoindol-4-yl) acetate Acetic acid (1,3-diketo-3a-methyl-2-phenyl-5,6,7,7a-tetrahydro-4H-isoindol-4-yl) ester Acetic acid (3a-methyl-1,3-dioxo-2-phenyl-5,6,7,7a-tetrahydro-4H-isoindol-4-yl) ester
CAS Registry Number 54346-15-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-11(19)22-14-10-6-9-13-15(20)18(16(21)17(13,14)2)12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-10H2,1-2H3
InChIKey VTPMJRBMRYBUNW-UHFFFAOYSA-N
Molecular Weight 301.342 g/mol
SMILES CC(=O)OC1CCCC2C(N(c3ccccc3)C(C12C)=O)=O
SPLASH splash10-0006-9222000000-01a1aaa5de8bd49f1e73
Source of Spectrum H-57-58-25
Wiley ID 1303843