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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 LTsJftwYwzf
Name 4-(2-tert-BUTOXYCARBONYL-2-CYANO-ETHYL)-5-CHLORO-1H-PYRROLE-2-CARBOXYLIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H17N2O4Cl
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 312.0873
SMILES [nH]1c(cc(c1Cl)CC(C#N)C(OC(C)(C)C)=O)C(OC)=O
SPLASH splash10-05fu-8910000000-0e743886562b8dcc61e2
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany