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1H-Pyrrole-1,2-dicarboxylic acid, 4-(3-methoxy-3-oxo-1-propenyl)-3,5-dimethyl-, 1-(1,1-dimethylethyl) 2-ethyl ester, (E)-

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole-1,2-dicarboxylic acid, 4-(3-methoxy-3-oxo-1-propenyl)-3,5-dimethyl-, 1-(1,1-dimethylethyl) 2-ethyl ester, (E)-
SpectraBase Compound ID 6am6u6rqEdd
InChI InChI=1S/C18H25NO6/c1-8-24-16(21)15-11(2)13(9-10-14(20)23-7)12(3)19(15)17(22)25-18(4,5)6/h9-10H,8H2,1-7H3/b10-9+
InChIKey RJHOTFIHKJAFDO-MDZDMXLPSA-N
Mol Weight 351.4 g/mol
Molecular Formula C18H25NO6
Exact Mass 351.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdCW4gAd4HA
Name 1H-Pyrrole-1,2-dicarboxylic acid, 4-(3-methoxy-3-oxo-1-propenyl)-3,5-dimethyl-, 1-(1,1-dimethylethyl) 2-ethyl ester, (E)-
Alternate Name(s) 1-tert-Butyl 2-ethyl 4-[(1E)-3-methoxy-3-oxo-1-propenyl]-3,5-dimethyl-1H-pyrrole-1,2-dicarboxylate Ethyl 1-(tert-butoxycarbonyl)-4-[2-methoxycarbonyl)-ethyl]-3,5-dimethylpyrrole-2-carboxylate
CAS Registry Number 122676-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO6
InChI InChI=1S/C18H25NO6/c1-8-24-16(21)15-11(2)13(9-10-14(20)23-7)12(3)19(15)17(22)25-18(4,5)6/h9-10H,8H2,1-7H3/b10-9+
InChIKey RJHOTFIHKJAFDO-MDZDMXLPSA-N
Molecular Weight 351.399 g/mol
SMILES c1([n](c(c(c1C)\C=C\C(=O)OC)C)C(OC(C)(C)C)=O)C(=O)OCC
SPLASH splash10-0a4i-9050000000-b914a098403cb3c1bafd
Source of Spectrum J-54-4805-21
Wiley ID 1342554