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1-(2-Carboxyphenyl)-2,5-dimethyl--3,4-diethoxycarbonylpyrrole

View entire compound with spectra: 2 NMR

1-(2-Carboxyphenyl)-2,5-dimethyl--3,4-diethoxycarbonylpyrrole
SpectraBase Compound ID F9VLAyZu6tC
InChI InChI=1S/C19H21NO6/c1-5-25-18(23)15-11(3)20(12(4)16(15)19(24)26-6-2)14-10-8-7-9-13(14)17(21)22/h7-10H,5-6H2,1-4H3,(H,21,22)
InChIKey DBELUTMKPJSBBF-UHFFFAOYSA-N
Mol Weight 359.38 g/mol
Molecular Formula C19H21NO6
Exact Mass 359.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AelqBH75QyA
Name 1-(2-Carboxyphenyl)-2,5-dimethyl--3,4-diethoxycarbonylpyrrole
Comments Computed using HOSE algorithm
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Exact Mass 359.136887394 u
Formula C19H21NO6
InChI InChI=1S/C19H21NO6/c1-5-25-18(23)15-11(3)20(12(4)16(15)19(24)26-6-2)14-10-8-7-9-13(14)17(21)22/h7-10H,5-6H2,1-4H3,(H,21,22)
InChIKey DBELUTMKPJSBBF-UHFFFAOYSA-N
Molecular Weight 359.378 g/mol
SMILES OC(c1c(N2C(=C(C(=C2C)C(=O)OCC)C(=O)OCC)C)cccc1)=O