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1H-Pyrrole-3-propanoic acid, 5-[[5-[(1,1-dimethylethoxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-methyl-2-oxo-2-phenyl-, phenylmethyl ester
SpectraBase Compound ID EDqGEh7xHka
InChI InChI=1S/C30H36N2O7/c1-18-21(12-14-25(33)37-6)27(29(36)39-30(3,4)5)31-23(18)16-24-19(2)22(28(35)32-24)13-15-26(34)38-17-20-10-8-7-9-11-20/h7-11,16,31H,12-15,17H2,1-6H3,(H,32,35)/b24-16+
InChIKey IWGRQZUTECYEMM-LFVJCYFKSA-N
Mol Weight 536.6 g/mol
Molecular Formula C30H36N2O7
Exact Mass 536.252252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Zt1tJtcCOz
Name 1H-Pyrrole-3-propanoic acid, 5-[[5-[(1,1-dimethylethoxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-methyl-2-oxo-2-phenyl-, phenylmethyl ester
Alternate Name(s) 5'-tert-butoxycarbonyl-1,5-dihydro-3,3'-dimethyl-5-oxo-2,2'-pyrromethen-4,4'-dipropionic acid-4-benzylester 4'-methylester tert-Butyl 5-((E)-{4-[3-(benzyloxy)-3-oxopropyl]-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene}methyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 66385-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36N2O7
InChI InChI=1S/C30H36N2O7/c1-18-21(12-14-25(33)37-6)27(29(36)39-30(3,4)5)31-23(18)16-24-19(2)22(28(35)32-24)13-15-26(34)38-17-20-10-8-7-9-11-20/h7-11,16,31H,12-15,17H2,1-6H3,(H,32,35)/b24-16+
InChIKey IWGRQZUTECYEMM-LFVJCYFKSA-N
Molecular Weight 536.625 g/mol
SMILES [nH]1c(c(c(c1\C=C\1C(=C(C(N1)=O)CCC(=O)OCc1ccccc1)C)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-0006-9000100000-2e77b11c75ba7bd70301
Source of Spectrum K-111-496-0
Wiley ID 1404086