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3-(2-Ethoxycarbonyl-ethyl)-4-methyl-1H-pyrrole-2-carboxylic acid, ethyl ester
SpectraBase Compound ID KnvEVQoCUXN
InChI InChI=1S/C13H19NO4/c1-4-17-11(15)7-6-10-9(3)8-14-12(10)13(16)18-5-2/h8,14H,4-7H2,1-3H3
InChIKey VYSMHXAYCBPASJ-UHFFFAOYSA-N
Mol Weight 253.3 g/mol
Molecular Formula C13H19NO4
Exact Mass 253.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZU8e8nMtLK
Name 3-(2-Ethoxycarbonyl-ethyl)-4-methyl-1H-pyrrole-2-carboxylic acid, ethyl ester
CAS Registry Number 43142-35-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO4
InChI InChI=1S/C13H19NO4/c1-4-17-11(15)7-6-10-9(3)8-14-12(10)13(16)18-5-2/h8,14H,4-7H2,1-3H3
InChIKey VYSMHXAYCBPASJ-UHFFFAOYSA-N
Molecular Weight 253.298 g/mol
SMILES [nH]1c(c(c(c1)C)CCC(=O)OCC)C(=O)OCC
SPLASH splash10-004i-7910000000-8dba23fd81cff2406f06
Synonyms 3-(3-Ethoxy-3-keto-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid ethyl ester 3-(3-Ethoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate Ethyl 3-(3-ethoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1482590