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1H-Pyrrole-3-propanoic acid, 5-[[1,5-dihydro-4-(2-hydroxyethyl)-3-methyl-5-oxo-2H-pyrrol-2-ylidene]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
SpectraBase Compound ID 3Lgs75XzmNm
InChI InChI=1S/C22H30N2O6/c1-12-14(7-8-18(26)29-6)19(21(28)30-22(3,4)5)23-16(12)11-17-13(2)15(9-10-25)20(27)24-17/h11,23,25H,7-10H2,1-6H3,(H,24,27)/b17-11-
InChIKey NUOBMXBHCSYVSK-BOPFTXTBSA-N
Mol Weight 418.49 g/mol
Molecular Formula C22H30N2O6
Exact Mass 418.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPZqlwlOQjA
Name 1H-Pyrrole-3-propanoic acid, 5-[[1,5-dihydro-4-(2-hydroxyethyl)-3-methyl-5-oxo-2H-pyrrol-2-ylidene]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
Alternate Name(s) Methyl ester of 5'-tert-butoxycarbonyl-1,5-dihydro-4-(2-hydroxyethyl)-3,3'-dimethyl-5-oxo-2,2'-pyrromethen-4'-propionic acid tert-Butyl 5-{(Z)-[4-(2-hydroxyethyl)-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 66385-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N2O6
InChI InChI=1S/C22H30N2O6/c1-12-14(7-8-18(26)29-6)19(21(28)30-22(3,4)5)23-16(12)11-17-13(2)15(9-10-25)20(27)24-17/h11,23,25H,7-10H2,1-6H3,(H,24,27)/b17-11-
InChIKey NUOBMXBHCSYVSK-BOPFTXTBSA-N
Molecular Weight 418.490 g/mol
SMILES [nH]1c(c(c(c1\C=C/1C(=C(CCO)C(N1)=O)C)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-03di-0009100000-75b681ed587694a06706
Source of Spectrum K-111-496-0
Wiley ID 1377161