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3-oxo-2-propyl-4-isoindolinecarboxylic acid

View entire compound with spectra: 2 NMR

3-oxo-2-propyl-4-isoindolinecarboxylic acid
SpectraBase Compound ID kd5UpcCtkn
InChI InChI=1S/C12H13NO3/c1-2-6-13-7-8-4-3-5-9(12(15)16)10(8)11(13)14/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKey PDPFTZLBVUSROP-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7WgyqLJNDqh
Name 3-oxo-2-propyl-4-isoindolinecarboxylic 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 219.089543280 u
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-2-6-13-7-8-4-3-5-9(12(15)16)10(8)11(13)14/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKey PDPFTZLBVUSROP-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5202
Solvent DMSO-d6
Source Vendor ID: NMR/12668049