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p-(3-hydroxy-3-methyl-1-butynyl)benzoic acid, methyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 2 MS (GC)

p-(3-hydroxy-3-methyl-1-butynyl)benzoic acid, methyl ester
SpectraBase Compound ID Ge5vYVh3ZQs
InChI InChI=1S/C13H14O3/c1-13(2,15)9-8-10-4-6-11(7-5-10)12(14)16-3/h4-7,15H,1-3H3
InChIKey HPQVSXSPVIQMCE-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3bdQFnjy3l3
Name benzoic acid, 4-(3-hydroxy-3-methyl-1-butynyl)-, methyl 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/C13H14O3/c1-13(2,15)9-8-10-4-6-11(7-5-10)12(14)16-3/h4-7,15H,1-3H3
InChIKey HPQVSXSPVIQMCE-UHFFFAOYSA-N
NMR Offset 16.579
NMR Spectrometer Frequency 250.133
Observed nucleus 1H
Origin 1H_CB_8313_1018
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: NMR/8251266; Labnumber: L-2.Malyshev
Temperature 297 °C