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Benzoic acid, 3-(octahydro-4-methyl-1,3-dioxo-2-isoindolyl)-
SpectraBase Compound ID HgDblJFDIpg
InChI InChI=1S/C16H17NO4/c1-9-4-2-7-12-13(9)15(19)17(14(12)18)11-6-3-5-10(8-11)16(20)21/h3,5-6,8-9,12-13H,2,4,7H2,1H3,(H,20,21)
InChIKey LALBLCHZESIXBX-UHFFFAOYSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6Cb3tewYTp
Name Benzoic acid, 3-(octahydro-4-methyl-1,3-dioxo-2-isoindolyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c1-9-4-2-7-12-13(9)15(19)17(14(12)18)11-6-3-5-10(8-11)16(20)21/h3,5-6,8-9,12-13H,2,4,7H2,1H3,(H,20,21)
InChIKey LALBLCHZESIXBX-UHFFFAOYSA-N
Molecular Weight 287.315 g/mol
SMILES OC(c1cc(N2C(C3CCCC(C3C2=O)C)=O)ccc1)=O
SPLASH splash10-014r-5390000000-7d8492f5eaa29791a479
Source of Spectrum AD-0-2532-0
Synonyms 3-(1,3-diketo-4-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid 3-(4-Methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid 3-(4-Methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid 3-[4-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoic acid
Wiley ID 1433144