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1H-Isoindole-1,3(2H)-dione, 4-(benzoyloxy)-3a,4,7,7a-tetrahydro-2-phenyl-7-[[[(phenylamino)carbonyl]oxy]methyl]-
SpectraBase Compound ID KWGHnQhm3fz
InChI InChI=1S/C29H24N2O6/c32-26-24-20(18-36-29(35)30-21-12-6-2-7-13-21)16-17-23(37-28(34)19-10-4-1-5-11-19)25(24)27(33)31(26)22-14-8-3-9-15-22/h1-17,20,23-25H,18H2,(H,30,35)
InChIKey VJKJDAIQRYCCCR-UHFFFAOYSA-N
Mol Weight 496.52 g/mol
Molecular Formula C29H24N2O6
Exact Mass 496.163436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UYDjveR5Tr
Name 1H-Isoindole-1,3(2H)-dione, 4-(benzoyloxy)-3a,4,7,7a-tetrahydro-2-phenyl-7-[[[(phenylamino)carbonyl]oxy]methyl]-
CAS Registry Number 114133-18-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24N2O6
InChI InChI=1S/C29H24N2O6/c32-26-24-20(18-36-29(35)30-21-12-6-2-7-13-21)16-17-23(37-28(34)19-10-4-1-5-11-19)25(24)27(33)31(26)22-14-8-3-9-15-22/h1-17,20,23-25H,18H2,(H,30,35)
InChIKey VJKJDAIQRYCCCR-UHFFFAOYSA-N
Molecular Weight 496.519 g/mol
SMILES N(C(OCC1C=CC(C2C(N(C(C12)=O)c1ccccc1)=O)OC(=O)c1ccccc1)=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-cec34d4622fffc8229c4
Source of Spectrum J-53-1870-36
Synonyms 4-[(carbaniloyloxy)methyl]-7-(benzoyloxy)-3a,4,7,7a-tetrahydro-2-phenyl-1,3-isoindoledione 7-{[(anilinocarbonyl)oxy]methyl}-1,3-dioxo-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl benzoate
Wiley ID 1398287