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1H-Pyrrole-2-carboxylic acid, 3-[2-(acetyloxy)ethyl]-5-[[3-(2-chloroethyl)-4-methyl-5-[(phenylmetho xy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-, phenylmethyl ester

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole-2-carboxylic acid, 3-[2-(acetyloxy)ethyl]-5-[[3-(2-chloroethyl)-4-methyl-5-[(phenylmetho xy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-, phenylmethyl ester
SpectraBase Compound ID DKnfd76km1k
InChI InChI=1S/C33H35ClN2O6/c1-21-27(15-17-40-23(3)37)31(33(39)42-20-25-12-8-5-9-13-25)35-28(21)18-29-26(14-16-34)22(2)30(36-29)32(38)41-19-24-10-6-4-7-11-24/h4-13,35-36H,14-20H2,1-3H3
InChIKey OGPJNGVAKUPJGP-UHFFFAOYSA-N
Mol Weight 591.1 g/mol
Molecular Formula C33H35ClN2O6
Exact Mass 590.218365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zmuQcFt1zs
Name 1H-Pyrrole-2-carboxylic acid, 3-[2-(acetyloxy)ethyl]-5-[[3-(2-chloroethyl)-4-methyl-5-[(phenylmetho xy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-, phenylmethyl ester
CAS Registry Number 87377-72-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H35ClN2O6
InChI InChI=1S/C33H35ClN2O6/c1-21-27(15-17-40-23(3)37)31(33(39)42-20-25-12-8-5-9-13-25)35-28(21)18-29-26(14-16-34)22(2)30(36-29)32(38)41-19-24-10-6-4-7-11-24/h4-13,35-36H,14-20H2,1-3H3
InChIKey OGPJNGVAKUPJGP-UHFFFAOYSA-N
Molecular Weight 591.104 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c([nH]1)C(OCc1ccccc1)=O)CCOC(=O)C)C)CCCl)C)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000100000-97e6ef3729a0b6d2fa2b
Source of Spectrum F-39-1854-0
Synonyms Acetoxyethylpyrromethane benzyl 5-({4-[2-(acetyloxy)ethyl]-5-[(benzyloxy)carbonyl]-3-methyl-1H-pyrrol-2-yl}methyl)-4-(2-chloroethyl)-3-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1409344