Dataset

27mii[10]

Chemical Information

molecular Image
InChI InChI=1S/C13H19NO5S/c1-13(2,3)19-12(15)10-8-9(18-5)6-7-11(10)20(16,17)14-4/h6-8,14H,1-5H3
SMILES CNS(=O)(=O)C1=C(C(=O)OC(C)(C)C)C=C(OC)C=C1
InChI Key YJUFIMKBTMFDIG-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p105.s974.d4585
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D4585
Version
Author
Maintainer
Language english
MetadataPublished
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['1H']

NMR spectrum by dimensionality : 1

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

Temperature : 298.1607 K

magnetic field strength : 9.398161044985478 Tesla

number of scans : 128 scans

nuclear magnetic resonance pulse sequence : zg30

Spectral Width : 30.0366276301356

number of data points : 9 points

relaxation time measurement : 0.1 seconds

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