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4-(2-t-Butoxycarbonyl-2-cyano-ethyl)-5-chloro-1H-pyrrole-2-carboxylic acid, methyl ester
SpectraBase Compound ID KMT9oemkXcJ
InChI InChI=1S/C14H17ClN2O4/c1-14(2,3)21-12(18)9(7-16)5-8-6-10(13(19)20-4)17-11(8)15/h6,9,17H,5H2,1-4H3
InChIKey CMUUXDZDUKJMJA-UHFFFAOYSA-N
Mol Weight 312.75 g/mol
Molecular Formula C14H17ClN2O4
Exact Mass 312.087685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZoe7HUNzkv
Name 4-(2-t-Butoxycarbonyl-2-cyano-ethyl)-5-chloro-1H-pyrrole-2-carboxylic acid, methyl ester
CAS Registry Number 106491-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17ClN2O4
InChI InChI=1S/C14H17ClN2O4/c1-14(2,3)21-12(18)9(7-16)5-8-6-10(13(19)20-4)17-11(8)15/h6,9,17H,5H2,1-4H3
InChIKey CMUUXDZDUKJMJA-UHFFFAOYSA-N
Molecular Weight 312.753 g/mol
SMILES [nH]1c(c(cc1C(=O)OC)CC(C(=O)OC(C)(C)C)C#N)Cl
SPLASH splash10-05fu-8910000000-e8fd86843eddc4eb2a14
Synonyms 4-(3-tert-butoxy-2-cyano-3-keto-propyl)-5-chloro-1H-pyrrole-2-carboxylic acid methyl ester 5-Chloro-4-[2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1H-pyrrole-2-carboxylic acid methyl ester Methyl 4-(3-tert-butoxy-2-cyano-3-oxo-propyl)-5-chloro-1H-pyrrole-2-carboxylate Methyl 5-chloranyl-4-[2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-1H-pyrrole-2-carboxylate Methyl 5-chloro-4-[2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1H-pyrrole-2-carboxylate
Wiley ID 1484630