For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,3-Benzodioxole-5-propanoic acid, .beta.-[(2,4-dichlorobenzoyl)amino]-
SpectraBase Compound ID 93Vje9NbSUw
InChI InChI=1S/C17H13Cl2NO5/c18-10-2-3-11(12(19)6-10)17(23)20-13(7-16(21)22)9-1-4-14-15(5-9)25-8-24-14/h1-6,13H,7-8H2,(H,20,23)(H,21,22)
InChIKey KMXJTEFNXLQJLV-UHFFFAOYSA-N
Mol Weight 382.2 g/mol
Molecular Formula C17H13Cl2NO5
Exact Mass 381.017078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 24MHOmJAXo
Name 1,3-Benzodioxole-5-propanoic acid, .beta.-[(2,4-dichlorobenzoyl)amino]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13Cl2NO5
InChI InChI=1S/C17H13Cl2NO5/c18-10-2-3-11(12(19)6-10)17(23)20-13(7-16(21)22)9-1-4-14-15(5-9)25-8-24-14/h1-6,13H,7-8H2,(H,20,23)(H,21,22)
InChIKey KMXJTEFNXLQJLV-UHFFFAOYSA-N
Molecular Weight 382.199 g/mol
SMILES N(C(=O)c1ccc(cc1Cl)Cl)C(CC(O)=O)c1cc2c(cc1)OCO2
SPLASH splash10-0592-3920000000-b93cf7eec03a99d2d440
Source of Spectrum IY-1-4524-1
Synonyms 3-(1,3-benzodioxol-5-yl)-3-[[(2,4-dichlorophenyl)-oxomethyl]amino]propanoic acid 3-(1,3-benzodioxol-5-yl)-3-[(2,4-dichlorobenzoyl)amino]propanoic acid 3-(1,3-benzodioxol-5-yl)-3-[(2,4-dichlorophenyl)carbonylamino]propanoic acid
Wiley ID 1653224