Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C17H15FN2S2/c18-14-7-9-15(10-8-14)19-20-16(13-5-2-1-3-6-13)17-21-11-4-12-22-17/h1-3,5-10H,4,11-12H2/b20-19+
SMILES	Fc1ccc(cc1)/N=N/C(=C1SCCCS1)c1ccccc1
InChI Key	XFOTXBGGPQNRBZ-FMQUCBEESA-N
Molecular Formula	C17H15FN2S2
Exact Mass	330.443 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XFOTXBGGPQNRBZ-FMQUCBEESA-N/NMR/13C/CDCL3/62.5
License URL
Source	https://www.chemotion-repository.net/inchikey/XFOTXBGGPQNRBZ-FMQUCBEESA-N/NMR/13C/CDCL3/62.5
Version
Author	Bettina Stanek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:45:33.119107
MetadataModified	2024-09-07T12:14:16.933847
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.268.935C	Nikkaji
The data in this table is sourced from UniChem at EBI.