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1H-Pyrazole-5-carboxylic acid, 3-(1,3-benzodioxol-5-yl)-
SpectraBase Compound ID FaL04hQxFRK
InChI InChI=1S/C11H8N2O4/c14-11(15)8-4-7(12-13-8)6-1-2-9-10(3-6)17-5-16-9/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKey LMXODXZANYFXPY-UHFFFAOYSA-N
Mol Weight 232.19 g/mol
Molecular Formula C11H8N2O4
Exact Mass 232.048407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9W1zv0kpQJD
Name 1H-Pyrazole-5-carboxylic acid, 3-(1,3-benzodioxol-5-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2O4
InChI InChI=1S/C11H8N2O4/c14-11(15)8-4-7(12-13-8)6-1-2-9-10(3-6)17-5-16-9/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKey LMXODXZANYFXPY-UHFFFAOYSA-N
Molecular Weight 232.195 g/mol
SMILES [nH]1c(C(=O)O)cc(-c2cc3OCOc3cc2)n1
SPLASH splash10-1159-9510000000-daf224b865d549640de9
Source of Spectrum IY-2-5152-4
Synonyms 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
Wiley ID 1659507