Dataset

Sorbic acid.cosy

Chemical Info

InChI	InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
SMILES	C/C=C/C=C/C(=O)O
InChI Key	WSWCOQWTEOXDQX-MQQKCMAXSA-N
Molecular Formula	C6H8O2
Exact Mass	112.130 g/mol

Data and Resources

• Sorbic acid.cosyHTML
  Explore

  • More information
  • Go to resource

• correlation-spectro...

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.57992/nmrxiv.p43.s263.d1531
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1531
Version
Author	Christoph Selg, David Geißler, Prof. Dr. Dieter Sicker, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Klaus-Peter Zeller, Prof. Dr. Stefan Berger
Maintainer
Language	english
MetadataCreated	2024-04-22T15:56:03.456059
MetadataModified	2024-04-22T15:56:03.456065
MetadataPublished	2023-12-24 22:12:17

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H , 1H NMR spectrum by dimensionality : 2 NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 Temperature : 298 K irradiation frequency : 700.18 MHz , 700.18 MHz magnetic field strength : 16.444844184625595 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : cosydfetgp.2 Spectral Width : 7.96985908992056 , 8 number of data points : 5 points relaxation time measurement : 2 seconds