Dataset

27ci[131]

Chemical Information

InChI	InChI=1S/C12H17NO4S/c1-4-7-13-18(15,16)11-6-5-9(2)8-10(11)12(14)17-3/h5-6,8,13H,4,7H2,1-3H3
SMILES	CCCNS(=O)(=O)C1=C(C(=O)OC)C=C(C)C=C1
InChI Key	AHIRCLXWASNYAQ-UHFFFAOYSA-N

Data and Resources

• 27ci[131]HTML
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• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1021.d4679
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4679
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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 : 298.1585 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
MCULE-2643485719	Mcule
The data in this table is sourced from UniChem at EBI.