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1,3-Benzodioxole-5-propanoic acid, .beta.-[[2-(4-nitrophenyl)acetyl]amino]-
SpectraBase Compound ID BYaL9KtS2JG
InChI InChI=1S/C18H16N2O7/c21-17(7-11-1-4-13(5-2-11)20(24)25)19-14(9-18(22)23)12-3-6-15-16(8-12)27-10-26-15/h1-6,8,14H,7,9-10H2,(H,19,21)(H,22,23)
InChIKey PQFSWUOMCYDAPB-UHFFFAOYSA-N
Mol Weight 372.33 g/mol
Molecular Formula C18H16N2O7
Exact Mass 372.095751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfTQYCifdf2
Name 1,3-Benzodioxole-5-propanoic acid, .beta.-[[2-(4-nitrophenyl)acetyl]amino]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2O7
InChI InChI=1S/C18H16N2O7/c21-17(7-11-1-4-13(5-2-11)20(24)25)19-14(9-18(22)23)12-3-6-15-16(8-12)27-10-26-15/h1-6,8,14H,7,9-10H2,(H,19,21)(H,22,23)
InChIKey PQFSWUOMCYDAPB-UHFFFAOYSA-N
Molecular Weight 372.333 g/mol
SMILES N(C(=O)Cc1ccc(cc1)N(=O)=O)C(CC(O)=O)c1cc2c(cc1)OCO2
SPLASH splash10-0k9l-8920000000-70c6461e1a2b7a800631
Source of Spectrum IY-1-4524-0
Synonyms 3-(1,3-benzodioxol-5-yl)-3-[[2-(4-nitrophenyl)-1-oxoethyl]amino]propanoic acid 3-(1,3-benzodioxol-5-yl)-3-[[2-(4-nitrophenyl)acetyl]amino]propanoic acid 3-(1,3-benzodioxol-5-yl)-3-[2-(4-nitrophenyl)ethanoylamino]propanoic acid
Wiley ID 1653223