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Benzoic acid, 4-[3-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2,5-dioxo-1-pyrrolidinyl]-, butyl ester
SpectraBase Compound ID BJr1vqYXERw
InChI InChI=1S/C23H28N2O4/c1-2-3-12-29-23(28)16-8-10-19(11-9-16)25-21(26)13-20(22(25)27)24-14-17-6-4-5-7-18(17)15-24/h4-5,8-11,17-18,20H,2-3,6-7,12-15H2,1H3
InChIKey NOYMGFWJBOBOLC-UHFFFAOYSA-N
Mol Weight 396.49 g/mol
Molecular Formula C23H28N2O4
Exact Mass 396.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jBysmb1Uoz
Name Benzoic acid, 4-[3-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2,5-dioxo-1-pyrrolidinyl]-, butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O4
InChI InChI=1S/C23H28N2O4/c1-2-3-12-29-23(28)16-8-10-19(11-9-16)25-21(26)13-20(22(25)27)24-14-17-6-4-5-7-18(17)15-24/h4-5,8-11,17-18,20H,2-3,6-7,12-15H2,1H3
InChIKey NOYMGFWJBOBOLC-UHFFFAOYSA-N
Molecular Weight 396.487 g/mol
SMILES C1(N(c2ccc(cc2)C(=O)OCCCC)C(CC1N1CC2C(C1)CC=CC2)=O)=O
SPLASH splash10-006w-9711000000-e9d26bc99d0673c2a988
Source of Spectrum IY-2-5065-3
Synonyms Butyl 4-[3-(2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
Wiley ID 1658636