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Dimethyl 2-(1H-isoindol-1-3(2H)-dione-2-yl)-3-(triphenylphosphoranylidene)butanedioate
SpectraBase Compound ID 55HsKS9g9up
InChI InChI=1S/C32H26NO6P/c1-38-31(36)27(33-29(34)25-20-12-13-21-26(25)30(33)35)28(32(37)39-2)40(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-21,27H,1-2H3/b32-28-/t27-/m1/s1
InChIKey UTCYFBHHWTVZCU-WDSQAZNRSA-N
Mol Weight 551.5 g/mol
Molecular Formula C32H26NO6P
Exact Mass 551.149775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfIRctC5A3B
Name Dimethyl 2-(1H-isoindol-1-3(2H)-dione-2-yl)-3-(triphenylphosphoranylidene)butanedioate
Alternate Name(s) (1Z,3S)-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,4-dimethoxy-4-oxo-2-(triphenylphosphonio)-1-buten-1-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26NO6P
InChI InChI=1S/C32H26NO6P/c1-38-31(36)27(33-29(34)25-20-12-13-21-26(25)30(33)35)28(32(37)39-2)40(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-21,27H,1-2H3/b32-28-/t27-/m1/s1
InChIKey UTCYFBHHWTVZCU-WDSQAZNRSA-N
Molecular Weight 551.535 g/mol
SMILES [C@](N1C(c2ccccc2C1=O)=O)(\C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)=C/([O-])OC)(C(=O)OC)[H]
SPLASH splash10-01q9-0890400000-74fa692c957c3512fabc
Source of Spectrum CV-0-194-4
Wiley ID 849177