For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-yl)acetic acid

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

(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-yl)acetic acid
SpectraBase Compound ID 4KLEd4NsIj9
InChI InChI=1S/C13H16O4/c1-7-8(4-11(15)16)12-9(14)5-13(2,3)6-10(12)17-7/h4-6H2,1-3H3,(H,15,16)
InChIKey QXTOASVQCPLPEK-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CGfnfrLASDN
Name 3-benzofuranacetic acid, 4,5,6,7-tetrahydro-2,6,6-trimethyl-4-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-7-8(4-11(15)16)12-9(14)5-13(2,3)6-10(12)17-7/h4-6H2,1-3H3,(H,15,16)
InChIKey QXTOASVQCPLPEK-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12150
Solvent DMSO-d6
Source Vendor ID: NMR/10270044; Lab Info: Cheb; Lab Number: Cheb-ZK00005