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1H-Pyrrole-3-propanoic acid, 2-carboxy-5-[[5-[(1,1-dimethylethoxy)carbonyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-, .alpha.-methyl ester

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole-3-propanoic acid, 2-carboxy-5-[[5-[(1,1-dimethylethoxy)carbonyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-, .alpha.-methyl ester
SpectraBase Compound ID 5rRpiqZcLtm
InChI InChI=1S/C25H34N2O8/c1-13-16(9-11-20(29)34-7)22(23(30)31)26-17(13)12-18-15(8-10-19(28)33-6)14(2)21(27-18)24(32)35-25(3,4)5/h26-27H,8-12H2,1-7H3,(H,30,31)
InChIKey LKQMCBKHVOASSR-UHFFFAOYSA-N
Mol Weight 490.6 g/mol
Molecular Formula C25H34N2O8
Exact Mass 490.231516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sPi6qTqwFV
Name 1H-Pyrrole-3-propanoic acid, 2-carboxy-5-[[5-[(1,1-dimethylethoxy)carbonyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-, .alpha.-methyl ester
Alternate Name(s) 5-{[5-(tert-butoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl}-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid t-Butyl 5-carboxy-3,4'-bis(2-methoxycarbonylethyl)-3',4-dimethyl-2,2'-methylenedipyrrole-5-carboxylate
CAS Registry Number 99602-72-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34N2O8
InChI InChI=1S/C25H34N2O8/c1-13-16(9-11-20(29)34-7)22(23(30)31)26-17(13)12-18-15(8-10-19(28)33-6)14(2)21(27-18)24(32)35-25(3,4)5/h26-27H,8-12H2,1-7H3,(H,30,31)
InChIKey LKQMCBKHVOASSR-UHFFFAOYSA-N
Molecular Weight 490.553 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c(C(=O)O)[nH]1)CCC(=O)OC)C)CCC(=O)OC)C)C(OC(C)(C)C)=O
SPLASH splash10-000i-0901000000-e5dcfd6e88a46dff0f6d
Source of Spectrum KC-1985-1706-32
Wiley ID 1397210