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1H-Pyrrole-3-propanoic acid, 5-(ethoxycarbonyl)-2,4-dimethyl-, methyl ester
SpectraBase Compound ID 3yacQRrhutT
InChI InChI=1S/C13H19NO4/c1-5-18-13(16)12-8(2)10(9(3)14-12)6-7-11(15)17-4/h14H,5-7H2,1-4H3
InChIKey KKBICYRCYZAPRF-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 1DvMW9bhtrv
Name 1H-Pyrrole-3-propanoic acid, 5-(ethoxycarbonyl)-2,4-dimethyl-, methyl ester
Alternate Name(s) Pyrrole-3-propionic acid, 5-carboxy-2,4-dimethyl-, ethyl methyl ester Ethyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate 4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester 4-(3-Methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Registry Number 2386-37-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO4
InChI InChI=1S/C13H19NO4/c1-5-18-13(16)12-8(2)10(9(3)14-12)6-7-11(15)17-4/h14H,5-7H2,1-4H3
InChIKey KKBICYRCYZAPRF-UHFFFAOYSA-N
Molecular Weight 253.298 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)C)CCC(=O)OC)C
SPLASH splash10-0uk9-0590000000-f8fd27c67c63325f194d
Source of Spectrum J-54-4805-18
Wiley ID 1256727