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2-([(1,1-Dimethyl-2-propynyl)oxy]carbonyl)benzoic acid
SpectraBase Compound ID DKQ6MRvk5he
InChI InChI=1S/C13H12O4/c1-4-13(2,3)17-12(16)10-8-6-5-7-9(10)11(14)15/h1,5-8H,2-3H3,(H,14,15)
InChIKey JIYFYNDLUWNHFQ-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IWJi4WdF0ek
Name 2-{[(1,1-dimethyl-2-propynyl)oxy]carbonyl}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/C13H12O4/c1-4-13(2,3)17-12(16)10-8-6-5-7-9(10)11(14)15/h1,5-8H,2-3H3,(H,14,15)
InChIKey JIYFYNDLUWNHFQ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_783
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/8301282; Labnumber: L-13,Korneeva; IOH_ID: IOH-000784
Temperature 303 °C