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Benzyl 5-formyl-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
SpectraBase Compound ID Bd08b34SFtM
InChI InChI=1S/C20H21NO7/c1-26-17(23)9-8-14-15(10-18(24)27-2)19(21-16(14)11-22)20(25)28-12-13-6-4-3-5-7-13/h3-7,11,21H,8-10,12H2,1-2H3
InChIKey ZGPCDUHOBKVSQJ-UHFFFAOYSA-N
Mol Weight 387.39 g/mol
Molecular Formula C20H21NO7
Exact Mass 387.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MeNjSk4QIh
Name Benzyl 5-formyl-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
CAS Registry Number 57529-24-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO7
InChI InChI=1S/C20H21NO7/c1-26-17(23)9-8-14-15(10-18(24)27-2)19(21-16(14)11-22)20(25)28-12-13-6-4-3-5-7-13/h3-7,11,21H,8-10,12H2,1-2H3
InChIKey ZGPCDUHOBKVSQJ-UHFFFAOYSA-N
Molecular Weight 387.388 g/mol
SMILES [nH]1c(c(c(c1C=O)CCC(=O)OC)CC(=O)OC)C(=O)OCc1ccccc1
SPLASH splash10-0006-9062000000-a9dfda8ca9703d5e8018
Source of Spectrum KC-1978-873-0
Synonyms (1H)Pyrrole-2-carboxaldehyde, 5-benzyloxycarbonyl-3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethyl- (phenylmethyl) 5-methanoyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate benzyl 5-formyl-3-(2-methoxy-2-oxo-ethyl)-4-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate 5-formyl-3-(2-keto-2-methoxy-ethyl)-4-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid benzyl ester 5-formyl-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester
Wiley ID 1363364