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2-((4R,7S)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindol-2(3H)-yl)acetic acid
SpectraBase Compound ID 64dI07ZfBXk
InChI InChI=1S/C12H13NO4/c14-8(15)5-13-11(16)9-6-1-2-7(4-3-6)10(9)12(13)17/h1-2,6-7,9-10H,3-5H2,(H,14,15)/t6-,7+,9?,10?
InChIKey XQUNMJVQLBEHIK-SLCQTASHSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CHVYTHiRr5o
Name 2-((4R,7S)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindol-2(3H)-yl)acetic 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/C12H13NO4/c14-8(15)5-13-11(16)9-6-1-2-7(4-3-6)10(9)12(13)17/h1-2,6-7,9-10H,3-5H2,(H,14,15)/t6-,7+,9?,10?
InChIKey XQUNMJVQLBEHIK-SLCQTASHSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6481
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/11328751