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2-[(E)-2-(5-carbethoxy-1H-pyrrol-2-yl)vinyl]pyrrole-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID LPUgxoAyR63
InChI InChI=1S/C18H22N2O4/c1-5-23-16(21)15-11-9-13(19-15)8-10-14-7-6-12-20(14)17(22)24-18(2,3)4/h6-12,19H,5H2,1-4H3/b10-8+
InChIKey YFWZPCQKCOEGDJ-CSKARUKUSA-N
Mol Weight 330.38 g/mol
Molecular Formula C18H22N2O4
Exact Mass 330.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IER2DLFqlzb
Name 2-[(E)-2-(5-carbethoxy-1H-pyrrol-2-yl)vinyl]pyrrole-1-carboxylic acid tert-butyl ester
Alternate Name(s) 2-[(E)-2-(5-ethoxycarbonyl-1H-pyrrol-2-yl)ethenyl]-1-pyrrolecarboxylic acid tert-butyl ester tert-Butyl 2-[(E)-2-(5-ethoxycarbonyl-1H-pyrrol-2-yl)ethenyl]pyrrole-1-carboxylate tert-Butyl 2-[(E)-2-(5-ethoxycarbonyl-1H-pyrrol-2-yl)vinyl]pyrrole-1-carboxylate
CAS Registry Number 105518-40-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O4
InChI InChI=1S/C18H22N2O4/c1-5-23-16(21)15-11-9-13(19-15)8-10-14-7-6-12-20(14)17(22)24-18(2,3)4/h6-12,19H,5H2,1-4H3/b10-8+
InChIKey YFWZPCQKCOEGDJ-CSKARUKUSA-N
Molecular Weight 330.384 g/mol
SMILES [nH]1c(ccc1C(=O)OCC)\C=C\c1[n](C(OC(C)(C)C)=O)ccc1
SPLASH splash10-001i-0941000000-5545eb78319207144c7b
Source of Spectrum J-52-23-17
Wiley ID 1327847