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Benzyl 3-[2-(benzyloxy)-2-oxoethyl]-4-[3-(benzyloxy)-3-oxopropyl]-5-methyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID AWlRHC7bivA
InChI InChI=1S/C32H31NO6/c1-23-27(17-18-29(34)37-20-24-11-5-2-6-12-24)28(19-30(35)38-21-25-13-7-3-8-14-25)31(33-23)32(36)39-22-26-15-9-4-10-16-26/h2-16,33H,17-22H2,1H3
InChIKey XAUWXIIGHQTFRR-UHFFFAOYSA-N
Mol Weight 525.6 g/mol
Molecular Formula C32H31NO6
Exact Mass 525.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1S3THyCP3wS
Name Benzyl 3-[2-(benzyloxy)-2-oxoethyl]-4-[3-(benzyloxy)-3-oxopropyl]-5-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 38252-61-8
Comments Note: The molecular formula of the structure shown is C32H31NO6 - which differs from the formula reported for the mass spectrum (C23H16CrO3)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16CrO3
InChI InChI=1S/C32H31NO6/c1-23-27(17-18-29(34)37-20-24-11-5-2-6-12-24)28(19-30(35)38-21-25-13-7-3-8-14-25)31(33-23)32(36)39-22-26-15-9-4-10-16-26/h2-16,33H,17-22H2,1H3
InChIKey XAUWXIIGHQTFRR-UHFFFAOYSA-N
Molecular Weight 525.601 g/mol
SMILES [nH]1c(c(c(c1C)CCC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
SPLASH splash10-0a4i-1059000000-b55a8755d58831789e59
Synonyms (phenylmethyl) 5-methyl-3-(2-oxidanylidene-2-phenylmethoxy-ethyl)-4-(3-oxidanylidene-3-phenylmethoxy-propyl)-1H-pyrrole-2-carboxylate 1H-Pyrrole-3-propanoic acid, 2-methyl-4-[2-oxo-2-(phenylmethoxy)ethyl]-5-[(phenylmethoxy)carbonyl]-, phenylmethyl ester 3-(2-benzoxy-2-keto-ethyl)-4-(3-benzoxy-3-keto-propyl)-5-methyl-1H-pyrrole-2-carboxylic acid benzyl ester 5-Methyl-3-(2-oxo-2-phenylmethoxyethyl)-4-(3-oxo-3-phenylmethoxypropyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester benzyl 5-methyl-3-(2-oxo-2-phenylmethoxyethyl)-4-(3-oxo-3-phenylmethoxypropyl)-1H-pyrrole-2-carboxylate
Wiley ID 1487284