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2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid

View entire compound with spectra: 1 NMR

2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
SpectraBase Compound ID JPE88KatRK9
InChI InChI=1S/C12H13NO3/c1-2-10(12(15)16)13-7-8-5-3-4-6-9(8)11(13)14/h3-6,10H,2,7H2,1H3,(H,15,16)
InChIKey KOISFQPSDTYGKX-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 3q3nBOTQLdC
Name 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic 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/c1-2-10(12(15)16)13-7-8-5-3-4-6-9(8)11(13)14/h3-6,10H,2,7H2,1H3,(H,15,16)
InChIKey KOISFQPSDTYGKX-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
NMR Offset 17.9888
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8732
Solvent CDCl3
Source Vendor ID: NMR/12669056