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1H-isoindole-2-acetic acid, 5-chloro-2,3,3a,4,7,7a-hexahydro-1,3-dioxo-, ethyl ester
SpectraBase Compound ID 4rJVwgmY59u
InChI InChI=1S/C12H14ClNO4/c1-2-18-10(15)6-14-11(16)8-4-3-7(13)5-9(8)12(14)17/h3,8-9H,2,4-6H2,1H3
InChIKey YLHGTTRHKJKCOG-UHFFFAOYSA-N
Mol Weight 271.7 g/mol
Molecular Formula C12H14ClNO4
Exact Mass 271.061136 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID INmUL1FRMK7
Name 1H-isoindole-2-acetic acid, 5-chloro-2,3,3a,4,7,7a-hexahydro-1,3-dioxo-, ethyl ester
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/C12H14ClNO4/c1-2-18-10(15)6-14-11(16)8-4-3-7(13)5-9(8)12(14)17/h3,8-9H,2,4-6H2,1H3
InChIKey YLHGTTRHKJKCOG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5213
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: NMR/12218854