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1H-Pyrrole-2-carboxylic acid, 5-chloro-4-cyanomethyl-3-(-3-propanenitrle)-, methyl ester
SpectraBase Compound ID JWksCCXNHUt
InChI InChI=1S/C11H10ClN3O2/c1-17-11(16)9-7(3-2-5-13)8(4-6-14)10(12)15-9/h15H,2-4H2,1H3
InChIKey KIDXKDCRSRHERJ-UHFFFAOYSA-N
Mol Weight 251.67 g/mol
Molecular Formula C11H10ClN3O2
Exact Mass 251.046154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46jhgrLoAa
Name 1H-Pyrrole-2-carboxylic acid, 5-chloro-4-cyanomethyl-3-(-3-propanenitrle)-, methyl ester
CAS Registry Number 106491-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10ClN3O2
InChI InChI=1S/C11H10ClN3O2/c1-17-11(16)9-7(3-2-5-13)8(4-6-14)10(12)15-9/h15H,2-4H2,1H3
InChIKey KIDXKDCRSRHERJ-UHFFFAOYSA-N
Molecular Weight 251.673 g/mol
SMILES [nH]1c(c(c(c1C(=O)OC)CCC#N)CC#N)Cl
SPLASH splash10-03fr-2980000000-b5ffc444723acb06e18f
Synonyms 5-Chloro-3-(2-cyanoethyl)-4-(cyanomethyl)-1H-pyrrole-2-carboxylic acid methyl ester Methyl 5-chloranyl-3-(2-cyanoethyl)-4-(cyanomethyl)-1H-pyrrole-2-carboxylate Methyl 5-chloro-3-(2-cyanoethyl)-4-(cyanomethyl)-1H-pyrrole-2-carboxylate
Wiley ID 1478975