Dataset

Sorbic acid.aptjmod

Chemical Info

molecular Image

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.aptjmodHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p43.s263.d1527
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1527
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	2024-04-22T15:55:12.661630
MetadataModified	2024-04-22T15:55:12.661635
MetadataPublished	2023-12-24 22:12:17

Field	Value
Measurement Technique	a
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 13C NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 Temperature : 298 K magnetic field strength : 16.441341131547752 Tesla number of scans : 4096 scans nuclear magnetic resonance pulse sequence : aptsp.ber Spectral Width : 199.973587449481 number of data points : 2 points relaxation time measurement : 2 seconds