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1,2,4-Oxadiazole-5-propanoic acid, 3-(1,3-benzodioxol-5-yl)-
SpectraBase Compound ID J82Eoc63kWb
InChI InChI=1S/C12H10N2O5/c15-11(16)4-3-10-13-12(14-19-10)7-1-2-8-9(5-7)18-6-17-8/h1-2,5H,3-4,6H2,(H,15,16)
InChIKey NSFDVNQFFIZBRC-UHFFFAOYSA-N
Mol Weight 262.22 g/mol
Molecular Formula C12H10N2O5
Exact Mass 262.058971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Mvx56djods
Name 1,2,4-Oxadiazole-5-propanoic acid, 3-(1,3-benzodioxol-5-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O5
InChI InChI=1S/C12H10N2O5/c15-11(16)4-3-10-13-12(14-19-10)7-1-2-8-9(5-7)18-6-17-8/h1-2,5H,3-4,6H2,(H,15,16)
InChIKey NSFDVNQFFIZBRC-UHFFFAOYSA-N
Molecular Weight 262.221 g/mol
SMILES OC(=O)CCc1nc(no1)-c1cc2c(cc1)OCO2
SPLASH splash10-03di-6960000000-a254d106a1767f379877
Source of Spectrum IY-2-5143-3
Synonyms 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid 3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
Wiley ID 1659416