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Methyl (Z)-2-benzyloxycarbonylamino-3-(N-t-butyloxycarbonyl-2-methoxycarbonyl-4-pyrrolyl)propenoate
SpectraBase Compound ID IjB6XKjhjH4
InChI InChI=1S/C23H26N2O8/c1-23(2,3)33-22(29)25-13-16(12-18(25)20(27)31-5)11-17(19(26)30-4)24-21(28)32-14-15-9-7-6-8-10-15/h6-13H,14H2,1-5H3,(H,24,28)/b17-11-
InChIKey XJILFQMFAYYLFW-BOPFTXTBSA-N
Mol Weight 458.47 g/mol
Molecular Formula C23H26N2O8
Exact Mass 458.168916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MFKXRVMc9i
Name Methyl (Z)-2-benzyloxycarbonylamino-3-(N-t-butyloxycarbonyl-2-methoxycarbonyl-4-pyrrolyl)propenoate
Alternate Name(s) 1-tert-Butyl 2-methyl 4-((1Z)-2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxo-1-propenyl)-1H-pyrrole-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O8
InChI InChI=1S/C23H26N2O8/c1-23(2,3)33-22(29)25-13-16(12-18(25)20(27)31-5)11-17(19(26)30-4)24-21(28)32-14-15-9-7-6-8-10-15/h6-13H,14H2,1-5H3,(H,24,28)/b17-11-
InChIKey XJILFQMFAYYLFW-BOPFTXTBSA-N
Molecular Weight 458.467 g/mol
SMILES N(C(=O)OCc1ccccc1)\C(=C/c1c[n](c(c1)C(=O)OC)C(OC(C)(C)C)=O)C(=O)OC
SPLASH splash10-052f-9220000000-a990030dae50b5686401
Source of Spectrum F-48-1461-9
Wiley ID 1389816