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N-Butanoyl-4-(4-methoxyphenyl)-3-morpholinopyrrol-2-carboxylic acid, methyl ester

View entire compound with spectra: 1 NMR

N-Butanoyl-4-(4-methoxyphenyl)-3-morpholinopyrrol-2-carboxylic acid, methyl ester
SpectraBase Compound ID 6Q7A7f0CDba
InChI InChI=1S/C21H26N2O5/c1-4-5-18(24)23-14-17(15-6-8-16(26-2)9-7-15)19(20(23)21(25)27-3)22-10-12-28-13-11-22/h6-9,14H,4-5,10-13H2,1-3H3
InChIKey BLZODCYDQJLQHK-UHFFFAOYSA-N
Mol Weight 386.45 g/mol
Molecular Formula C21H26N2O5
Exact Mass 386.184172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BbtrYCniKA
Name N-Butanoyl-4-(4-methoxyphenyl)-3-morpholinopyrrol-2-carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.184171940 u
Formula C21H26N2O5
InChI InChI=1S/C21H26N2O5/c1-4-5-18(24)23-14-17(15-6-8-16(26-2)9-7-15)19(20(23)21(25)27-3)22-10-12-28-13-11-22/h6-9,14H,4-5,10-13H2,1-3H3
InChIKey BLZODCYDQJLQHK-UHFFFAOYSA-N
Molecular Weight 386.448 g/mol
SMILES C=1N(C(C(OC)=O)=C(C1C1=CC=C(C=C1)OC)N1CCOCC1)C(CCC)=O