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3a-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]perhydropyrrolo[3,4-c]pyrrole-1,3,4,6-tetraone
SpectraBase Compound ID 8UyRtavJvn3
InChI InChI=1S/C16H14N2O7/c1-24-9-4-3-7(5-10(9)25-2)8(19)6-16-11(12(20)17-14(16)22)13(21)18-15(16)23/h3-5,11H,6H2,1-2H3,(H,17,20,22)(H,18,21,23)
InChIKey NYAQULNXCBKZNK-UHFFFAOYSA-N
Mol Weight 346.3 g/mol
Molecular Formula C16H14N2O7
Exact Mass 346.080101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HdDERBMKY1
Name 3a-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]perhydropyrrolo[3,4-c]pyrrole-1,3,4,6-tetraone
Alternate Name(s) 3a-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-6aH-pyrrolo[3,4-c]pyrrole-1,3,4,6-tetrone 3a-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-6aH-pyrrolo[3,4-c]pyrrole-1,3,4,6-tetrone 3a-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-6aH-pyrrolo[3,4-c]pyrrole-1,3,4,6-tetrone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O7
InChI InChI=1S/C16H14N2O7/c1-24-9-4-3-7(5-10(9)25-2)8(19)6-16-11(12(20)17-14(16)22)13(21)18-15(16)23/h3-5,11H,6H2,1-2H3,(H,17,20,22)(H,18,21,23)
InChIKey NYAQULNXCBKZNK-UHFFFAOYSA-N
Molecular Weight 346.295 g/mol
SMILES N1C(C2C(C(NC2=O)=O)(C1=O)CC(c1cc(OC)c(cc1)OC)=O)=O
SPLASH splash10-0002-0009000000-699d6e7603e4378deea7
Source of Spectrum O1-45-476-3b
Wiley ID 1668950