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1H-Pyrrole-3-propanoic acid, 5-[(1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
SpectraBase Compound ID H8hzvI4RH1E
InChI InChI=1S/C20H26N2O5/c1-11-9-16(23)21-14(11)10-15-12(2)13(7-8-17(24)26-6)18(22-15)19(25)27-20(3,4)5/h9-10,22H,7-8H2,1-6H3,(H,21,23)/b14-10-
InChIKey QKQHZPOELFPLKW-UVTDQMKNSA-N
Mol Weight 374.44 g/mol
Molecular Formula C20H26N2O5
Exact Mass 374.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KeLo9BVGMG
Name 1H-Pyrrole-3-propanoic acid, 5-[(1,5-dihydro-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'-tertoxycarbonyl-1,5-dihydro-3,3'-dimethyl-5-oxo-2,2'-pyrromethen-4-propionic acid tert-Butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrole-2-carboxylate
CAS Registry Number 71212-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2O5
InChI InChI=1S/C20H26N2O5/c1-11-9-16(23)21-14(11)10-15-12(2)13(7-8-17(24)26-6)18(22-15)19(25)27-20(3,4)5/h9-10,22H,7-8H2,1-6H3,(H,21,23)/b14-10-
InChIKey QKQHZPOELFPLKW-UVTDQMKNSA-N
Molecular Weight 374.437 g/mol
SMILES [nH]1c(c(c(c1\C=C/1NC(C=C1C)=O)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-066r-0249000000-45784b39c5852a4559b9
Source of Spectrum K-112-2251-0
Wiley ID 1356613