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1H-Pyrrole-3-propanoic acid, 5-[[3-bromo-4-methyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-2-[(dimethylamino)carbonyl]-4-methyl-, methyl ester

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole-3-propanoic acid, 5-[[3-bromo-4-methyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-2-[(dimethylamino)carbonyl]-4-methyl-, methyl ester
SpectraBase Compound ID D0Ug3lZGQo4
InChI InChI=1S/C26H30BrN3O5/c1-15-18(11-12-21(31)34-5)24(25(32)30(3)4)28-19(15)13-20-22(27)16(2)23(29-20)26(33)35-14-17-9-7-6-8-10-17/h6-10,28-29H,11-14H2,1-5H3
InChIKey VSUSJKUOBBQJBM-UHFFFAOYSA-N
Mol Weight 544.45 g/mol
Molecular Formula C26H30BrN3O5
Exact Mass 543.136884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3q4qPBBL9wX
Name 1H-Pyrrole-3-propanoic acid, 5-[[3-bromo-4-methyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-2-[(dimethylamino)carbonyl]-4-methyl-, methyl ester
CAS Registry Number 62786-80-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30BrN3O5
InChI InChI=1S/C26H30BrN3O5/c1-15-18(11-12-21(31)34-5)24(25(32)30(3)4)28-19(15)13-20-22(27)16(2)23(29-20)26(33)35-14-17-9-7-6-8-10-17/h6-10,28-29H,11-14H2,1-5H3
InChIKey VSUSJKUOBBQJBM-UHFFFAOYSA-N
Molecular Weight 544.446 g/mol
SMILES [nH]1c(Cc2c(c(c([nH]2)C(OCc2ccccc2)=O)C)Br)c(c(c1C(N(C)C)=O)CCC(=O)OC)C
SPLASH splash10-0006-9000060000-67298b6e3ea4dc91b3a4
Source of Spectrum KC-1976-2498-0
Synonyms Benzyl 3-bromo-5'-dimethycarbamoyl-4'-(2-methoxycarbonylethyl)-3',4-dimethylpyrromethane-5-carboxylate benzyl 4-bromo-5-{[5-[(dimethylamino)carbonyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methyl}-3-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1404935