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1-benzyl-4-(2-carbobenzoxybenzyl)-3-methyl-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID CRHCa0I81T0
InChI InChI=1S/C30H29NO4/c1-3-34-30(33)28-22(2)26(20-31(28)19-23-12-6-4-7-13-23)18-25-16-10-11-17-27(25)29(32)35-21-24-14-8-5-9-15-24/h4-17,20H,3,18-19,21H2,1-2H3
InChIKey KJQIYCBNULFKAP-UHFFFAOYSA-N
Mol Weight 467.57 g/mol
Molecular Formula C30H29NO4
Exact Mass 467.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFXoL1WiSdj
Name 1-benzyl-4-(2-carbobenzoxybenzyl)-3-methyl-pyrrole-2-carboxylic acid ethyl ester
Alternate Name(s) 3-methyl-4-[(2-phenylmethoxycarbonylphenyl)methyl]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester ethyl 1-benzyl-3-methyl-4-[(2-phenylmethoxycarbonylphenyl)methyl]pyrrole-2-carboxylate ethyl 1-benzyl-4-[(2-benzyloxycarbonylphenyl)methyl]-3-methyl-pyrrole-2-carboxylate ethyl 3-methyl-4-[(2-phenylmethoxycarbonylphenyl)methyl]-1-(phenylmethyl)pyrrole-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C30H29NO4
InChI InChI=1S/C30H29NO4/c1-3-34-30(33)28-22(2)26(20-31(28)19-23-12-6-4-7-13-23)18-25-16-10-11-17-27(25)29(32)35-21-24-14-8-5-9-15-24/h4-17,20H,3,18-19,21H2,1-2H3
InChIKey KJQIYCBNULFKAP-UHFFFAOYSA-N
Molecular Weight 467.565 g/mol
SMILES c1([n](cc(c1C)Cc1c(C(OCc2ccccc2)=O)cccc1)Cc1ccccc1)C(=O)OCC
SPLASH splash10-0006-9000400000-f4045ca211efc5459ad8
Source of Spectrum Y-30-221-14
Wiley ID 1392234