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5-Chloro-4-cyanomethyl-1H-pyrrole-2-carboxylic acid, methyl ester
SpectraBase Compound ID BlKPz2kq1Gc
InChI InChI=1S/C8H7ClN2O2/c1-13-8(12)6-4-5(2-3-10)7(9)11-6/h4,11H,2H2,1H3
InChIKey VEQJUWLTIGSVEM-UHFFFAOYSA-N
Mol Weight 198.61 g/mol
Molecular Formula C8H7ClN2O2
Exact Mass 198.019605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrtagNMmirL
Name 5-Chloro-4-cyanomethyl-1H-pyrrole-2-carboxylic acid, methyl ester
CAS Registry Number 106491-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7ClN2O2
InChI InChI=1S/C8H7ClN2O2/c1-13-8(12)6-4-5(2-3-10)7(9)11-6/h4,11H,2H2,1H3
InChIKey VEQJUWLTIGSVEM-UHFFFAOYSA-N
Molecular Weight 198.609 g/mol
SMILES [nH]1c(c(cc1C(=O)OC)CC#N)Cl
SPLASH splash10-014i-1900000000-a2b08ce7c2d84488db85
Synonyms Methyl 5-chloranyl-4-(cyanomethyl)-1H-pyrrole-2-carboxylate Methyl 5-chloro-4-(cyanomethyl)-1H-pyrrole-2-carboxylate
Wiley ID 1479847