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1H-Pyrrole-3-butanoic acid, 4-methyl-2-[(phenylmethoxy)carbonyl]-, methyl ester
SpectraBase Compound ID 2lco9yiCZDo
InChI InChI=1S/C18H21NO4/c1-13-11-19-17(15(13)9-6-10-16(20)22-2)18(21)23-12-14-7-4-3-5-8-14/h3-5,7-8,11,19H,6,9-10,12H2,1-2H3
InChIKey ABRDXQQMOCKKTI-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 6n7KvkYgJJM
Name 1H-Pyrrole-3-butanoic acid, 4-methyl-2-[(phenylmethoxy)carbonyl]-, methyl ester
CAS Registry Number 99602-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-13-11-19-17(15(13)9-6-10-16(20)22-2)18(21)23-12-14-7-4-3-5-8-14/h3-5,7-8,11,19H,6,9-10,12H2,1-2H3
InChIKey ABRDXQQMOCKKTI-UHFFFAOYSA-N
Molecular Weight 315.369 g/mol
SMILES [nH]1cc(c(c1C(OCc1ccccc1)=O)CCCC(=O)OC)C
SPLASH splash10-00kf-8029000000-b057dee7239f48fcc85f
Source of Spectrum KC-1985-1704-19
Synonyms Benzyl 3-(3-methoxycarbonylpropyl)-4-methylpyrrole-2-carboxylate benzyl 3-(4-methoxy-4-oxobutyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1316037