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N-Phthaloylglycyl-.alpha.,.beta.-didehydroaspartic acid dimethyl ester
SpectraBase Compound ID 4jocKeXSGVn
InChI InChI=1S/C16H14N2O7/c1-9(19)25-8-12(16(23)24-2)17-13(20)7-18-14(21)10-5-3-4-6-11(10)15(18)22/h3-6,8H,7H2,1-2H3,(H,17,20)/b12-8-
InChIKey UJQIFSZLHSJDFM-WQLSENKSSA-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 KpLxGGx4VuB
Name N-Phthaloylglycyl-.alpha.,.beta.-didehydroaspartic acid dimethyl ester
Alternate Name(s) Methyl (2Z)-3-(acetyloxy)-2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-2-propenoate
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Formula C16H14N2O7
InChI InChI=1S/C16H14N2O7/c1-9(19)25-8-12(16(23)24-2)17-13(20)7-18-14(21)10-5-3-4-6-11(10)15(18)22/h3-6,8H,7H2,1-2H3,(H,17,20)/b12-8-
InChIKey UJQIFSZLHSJDFM-WQLSENKSSA-N
Molecular Weight 346.295 g/mol
SMILES N(\C(C(=O)OC)=C/OC(=O)C)C(CN1C(c2ccccc2C1=O)=O)=O
SPLASH splash10-03dr-0940000000-130bd9292f42f5605d2d
Source of Spectrum F-53-5615-10
Wiley ID 801628