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3-maleimidobenzoic acid (3-maleimidobenzoyl) ester
SpectraBase Compound ID DOg28ml4I8U
InChI InChI=1S/C22H12N2O7/c25-17-7-8-18(26)23(17)15-5-1-3-13(11-15)21(29)31-22(30)14-4-2-6-16(12-14)24-19(27)9-10-20(24)28/h1-12H
InChIKey MNMFTQXBTAWSSC-UHFFFAOYSA-N
Mol Weight 416.35 g/mol
Molecular Formula C22H12N2O7
Exact Mass 416.064451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPa19SoKf1r
Name 3-maleimidobenzoic acid (3-maleimidobenzoyl) ester
Alternate Name(s) [3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]carbonyl 3-[2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate 3-(2,5-dioxo-1-pyrrolyl)benzoic acid [[3-(2,5-dioxo-1-pyrrolyl)phenyl]-oxomethyl] ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H12N2O7
InChI InChI=1S/C22H12N2O7/c25-17-7-8-18(26)23(17)15-5-1-3-13(11-15)21(29)31-22(30)14-4-2-6-16(12-14)24-19(27)9-10-20(24)28/h1-12H
InChIKey MNMFTQXBTAWSSC-UHFFFAOYSA-N
Molecular Weight 416.345 g/mol
SMILES C1(N(C(C=C1)=O)c1cc(C(OC(c2cc(N3C(C=CC3=O)=O)ccc2)=O)=O)ccc1)=O
SPLASH splash10-0udi-0090100000-f4d9ad5329ba7c4d2071
Source of Spectrum AH-128-97-8
Wiley ID 1376280