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1H-Pyrrole-2,5-dicarboxylic acid, 3-ethyl-4-methyl-, 5-ethyl 2-(phenylmethyl) ester
SpectraBase Compound ID KOUCLy9Hy0K
InChI InChI=1S/C18H21NO4/c1-4-14-12(3)15(17(20)22-5-2)19-16(14)18(21)23-11-13-9-7-6-8-10-13/h6-10,19H,4-5,11H2,1-3H3
InChIKey OYBYLDLLONDFJJ-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lk0F4uYK5Uu
Name 1H-Pyrrole-2,5-dicarboxylic acid, 3-ethyl-4-methyl-, 5-ethyl 2-(phenylmethyl) ester
CAS Registry Number 35889-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-4-14-12(3)15(17(20)22-5-2)19-16(14)18(21)23-11-13-9-7-6-8-10-13/h6-10,19H,4-5,11H2,1-3H3
InChIKey OYBYLDLLONDFJJ-UHFFFAOYSA-N
Molecular Weight 315.369 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)C)CC)C(=O)OCc1ccccc1
SPLASH splash10-00xu-5493000000-5003af96493a4369961f
Source of Spectrum J-7-3621-90
Synonyms 2-Benzyl 5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate 2-O-benzyl 5-O-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate 3-Ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid O2-benzyl ester O5-ethyl ester 3-Ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid O5-ethyl ester O2-(phenylmethyl) ester O2-benzyl O5-ethyl 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate O5-ethyl O2-(phenylmethyl) 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylate
Wiley ID 1316009