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1H-Pyrrole-2-carboxylic acid, 4-[[2-[(phenylmethoxy)carbonyl]phenyl]methyl]-1-(phenylmethyl)-, ethyl ester
SpectraBase Compound ID LVKG2SEssdm
InChI InChI=1S/C29H27NO4/c1-2-33-29(32)27-18-24(20-30(27)19-22-11-5-3-6-12-22)17-25-15-9-10-16-26(25)28(31)34-21-23-13-7-4-8-14-23/h3-16,18,20H,2,17,19,21H2,1H3
InChIKey DRQAXZDLBHRRBQ-UHFFFAOYSA-N
Mol Weight 453.54 g/mol
Molecular Formula C29H27NO4
Exact Mass 453.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTxTafKqAV8
Name 1H-Pyrrole-2-carboxylic acid, 4-[[2-[(phenylmethoxy)carbonyl]phenyl]methyl]-1-(phenylmethyl)-, ethyl ester
CAS Registry Number 121045-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27NO4
InChI InChI=1S/C29H27NO4/c1-2-33-29(32)27-18-24(20-30(27)19-22-11-5-3-6-12-22)17-25-15-9-10-16-26(25)28(31)34-21-23-13-7-4-8-14-23/h3-16,18,20H,2,17,19,21H2,1H3
InChIKey DRQAXZDLBHRRBQ-UHFFFAOYSA-N
Molecular Weight 453.538 g/mol
SMILES c1([n](cc(c1)Cc1c(C(OCc2ccccc2)=O)cccc1)Cc1ccccc1)C(=O)OCC
SPLASH splash10-01ox-9305200000-d9bb8d059bf675336109
Source of Spectrum KC-1988-3011-22
Synonyms Ethyl 1-benzyl-4-(2-benzyloxy-carbonylbenzyl)pyrrole-2-carboxylate Ethyl 1-benzyl-4-{2-[(benzyloxy)carbonyl]benzyl}-1H-pyrrole-2-carboxylate
Wiley ID 1388550