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Benzyl 2-acetyl-4-[2-(methoxycarbonyl)ethyl]-3-[(methoxycarbonyl)methyl]pyrrole-5-carboxylate
SpectraBase Compound ID 5vRw7dg9FFn
InChI InChI=1S/C21H23NO7/c1-13(23)19-16(11-18(25)28-3)15(9-10-17(24)27-2)20(22-19)21(26)29-12-14-7-5-4-6-8-14/h4-8,22H,9-12H2,1-3H3
InChIKey AGGIRJQQRLCCMV-UHFFFAOYSA-N
Mol Weight 401.42 g/mol
Molecular Formula C21H23NO7
Exact Mass 401.147452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSfvWGYFq8
Name Benzyl 2-acetyl-4-[2-(methoxycarbonyl)ethyl]-3-[(methoxycarbonyl)methyl]pyrrole-5-carboxylate
Alternate Name(s) benzyl 5-acetyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO7
InChI InChI=1S/C21H23NO7/c1-13(23)19-16(11-18(25)28-3)15(9-10-17(24)27-2)20(22-19)21(26)29-12-14-7-5-4-6-8-14/h4-8,22H,9-12H2,1-3H3
InChIKey AGGIRJQQRLCCMV-UHFFFAOYSA-N
Molecular Weight 401.415 g/mol
SMILES [nH]1c(c(c(c1C(=O)C)CC(=O)OC)CCC(=O)OC)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-0c7c3612564699410e3b
Source of Spectrum F-48-4706-24
Wiley ID 1369962