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1H-Pyrrole-2,5-dicarboxylic acid, 3-(4-methoxy-4-oxobutyl)-4-methyl-, 5-(phenylmethyl) ester
SpectraBase Compound ID BWOiiKz3MPr
InChI InChI=1S/C19H21NO6/c1-12-14(9-6-10-15(21)25-2)17(18(22)23)20-16(12)19(24)26-11-13-7-4-3-5-8-13/h3-5,7-8,20H,6,9-11H2,1-2H3,(H,22,23)
InChIKey HKXNMHFGKTZIHD-UHFFFAOYSA-N
Mol Weight 359.38 g/mol
Molecular Formula C19H21NO6
Exact Mass 359.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gq6s7weNRzA
Name 1H-Pyrrole-2,5-dicarboxylic acid, 3-(4-methoxy-4-oxobutyl)-4-methyl-, 5-(phenylmethyl) ester
Alternate Name(s) 2-Benzyloxycarbonyl-4-(3-methoxycarbonylpropyl)-3-methyl-pyrrole-5-carboxylic acid 5-[(benzyloxy)carbonyl]-3-(4-methoxy-4-oxobutyl)-4-methyl-1H-pyrrole-2-carboxylic acid
CAS Registry Number 99602-59-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO6
InChI InChI=1S/C19H21NO6/c1-12-14(9-6-10-15(21)25-2)17(18(22)23)20-16(12)19(24)26-11-13-7-4-3-5-8-13/h3-5,7-8,20H,6,9-11H2,1-2H3,(H,22,23)
InChIKey HKXNMHFGKTZIHD-UHFFFAOYSA-N
Molecular Weight 359.378 g/mol
SMILES [nH]1c(c(c(c1C(=O)O)CCCC(=O)OC)C)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-f96f5aed46a16d5db46b
Source of Spectrum KC-1985-1704-0
Wiley ID 1347743