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3-(3-keto-3-methoxy-propyl)-4-methyl-5-[(E)-2-nitrovinyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID I2VLo3squj6
InChI InChI=1S/C16H22N2O6/c1-10-11(6-7-13(19)23-5)14(15(20)24-16(2,3)4)17-12(10)8-9-18(21)22/h8-9,17H,6-7H2,1-5H3/b9-8+
InChIKey SKKFRLZFOVWZMQ-CMDGGOBGSA-N
Mol Weight 338.36 g/mol
Molecular Formula C16H22N2O6
Exact Mass 338.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52T9IlqaO5o
Name 3-(3-keto-3-methoxy-propyl)-4-methyl-5-[(E)-2-nitrovinyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester
Alternate Name(s) 3-(3-Methoxy-3-oxopropyl)-4-methyl-5-[(E)-2-nitroethenyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester tert-Butyl 3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-5-[(E)-2-nitroethenyl]-1H-pyrrole-2-carboxylate tert-Butyl 3-(3-methoxy-3-oxo-propyl)-4-methyl-5-[(E)-2-nitrovinyl]-1H-pyrrole-2-carboxylate tert-Butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(E)-2-nitroethenyl]-1H-pyrrole-2-carboxylate
CAS Registry Number 133561-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O6
InChI InChI=1S/C16H22N2O6/c1-10-11(6-7-13(19)23-5)14(15(20)24-16(2,3)4)17-12(10)8-9-18(21)22/h8-9,17H,6-7H2,1-5H3/b9-8+
InChIKey SKKFRLZFOVWZMQ-CMDGGOBGSA-N
Molecular Weight 338.360 g/mol
SMILES [nH]1c(c(c(c1C(OC(C)(C)C)=O)CCC(=O)OC)C)\C=C\N(=O)=O
SPLASH splash10-03k9-0592000000-bce47d6da43d1ceb4874
Source of Spectrum AH-121-894-0
Wiley ID 1333522