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2-(1H-Pyrrol-2-ylmethylene)malonic acid, diethyl ester
SpectraBase Compound ID DmIFnpfMC4w
InChI InChI=1S/C12H15NO4/c1-3-16-11(14)10(12(15)17-4-2)8-9-6-5-7-13-9/h5-8,13H,3-4H2,1-2H3
InChIKey ACBDEYMKVQPVAB-UHFFFAOYSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBD8oPeDT9M
Name 2-(1H-Pyrrol-2-ylmethylene)malonic acid, diethyl ester
Alternate Name(s) 2-(1H-pyrrol-2-ylmethylene)malonic acid diethyl ester 2-(1H-pyrrol-2-ylmethylidene)propanedioic acid diethyl ester Diethyl 2-(1H-pyrrol-2-ylmethylene)malonate Diethyl 2-(1H-pyrrol-2-ylmethylene)propanedioate Diethyl 2-(1H-pyrrol-2-ylmethylidene)propanedioate
CAS Registry Number 91642-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-3-16-11(14)10(12(15)17-4-2)8-9-6-5-7-13-9/h5-8,13H,3-4H2,1-2H3
InChIKey ACBDEYMKVQPVAB-UHFFFAOYSA-N
Molecular Weight 237.255 g/mol
SMILES [nH]1cccc1C=C(C(=O)OCC)C(=O)OCC
SPLASH splash10-0gb9-9210000000-36e3167cd95403074234
Source of Spectrum KC-0-2199-34
Wiley ID 822911