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3-[3-(ethoxycarbonyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrol-1-yl]propanoic acid
SpectraBase Compound ID CcLH58EkmIP
InChI InChI=1S/C18H21NO4/c1-4-23-18(22)15-11-16(14-7-5-12(2)6-8-14)19(13(15)3)10-9-17(20)21/h5-8,11H,4,9-10H2,1-3H3,(H,20,21)
InChIKey BDNVHPOHCPMZJW-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CVtcJhCDmA2
Name 3-[3-(ethoxycarbonyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrol-1-yl]propanoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.147058156 u
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-4-23-18(22)15-11-16(14-7-5-12(2)6-8-14)19(13(15)3)10-9-17(20)21/h5-8,11H,4,9-10H2,1-3H3,(H,20,21)
InChIKey BDNVHPOHCPMZJW-UHFFFAOYSA-N
Molecular Weight 315.369 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3158
Solvent DMSO-d6
Source Vendor ID: NMR/12288510