Dataset

27kiv[101]

Chemical Information

molecular Image
InChI InChI=1S/C12H16ClNO4S/c1-4-18-12(15)10-7-9(13)5-6-11(10)19(16,17)14-8(2)3/h5-8,14H,4H2,1-3H3
SMILES CCOC(=O)C1=C(S(=O)(=O)NC(C)C)C=CC(Cl)=C1
InChI Key XLDCJAXUWFNVPY-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p105.s995.d4628
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D4628
Version
Author
Maintainer
Language english
MetadataPublished
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['13C']

NMR spectrum by dimensionality : 1

NMR probe : Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP)

Temperature : 294.8488 K

magnetic field strength : 9.396159066431597 Tesla

number of scans : 1024 scans

nuclear magnetic resonance pulse sequence : zgpg30

Spectral Width : 248.43766462855

number of data points : 10 points

relaxation time measurement : 1 seconds

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.