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2-chloro-5-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid

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2-chloro-5-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
SpectraBase Compound ID K0pIrfFV5ga
InChI InChI=1S/C16H14ClNO4/c1-8-3-2-4-10-13(8)15(20)18(14(10)19)9-5-6-12(17)11(7-9)16(21)22/h2-3,5-8,10,13H,4H2,1H3,(H,21,22)
InChIKey RBSLAGQYLSMPCD-UHFFFAOYSA-N
Mol Weight 319.74 g/mol
Molecular Formula C16H14ClNO4
Exact Mass 319.061136 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID u4tXuxFKMD
Name 2-chloro-5-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H14ClNO4/c1-8-3-2-4-10-13(8)15(20)18(14(10)19)9-5-6-12(17)11(7-9)16(21)22/h2-3,5-8,10,13H,4H2,1H3,(H,21,22)
InChIKey RBSLAGQYLSMPCD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1591
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: C97924; Labnumber: RYK-7994; SBI_ID: SBI-001593
Temperature 318 °C