Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C17H15IN2S2/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	Ic1ccc(cc1)/N=N/C(=C1SCCCS1)c1ccccc1
InChI Key	QPYBPCGVZSEXOY-FMQUCBEESA-N
Molecular Formula	C17H15IN2S2
Exact Mass	438.349 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QPYBPCGVZSEXOY-FMQUCBEESA-N/NMR/1H/CDCL3/250
License URL
Source	https://www.chemotion-repository.net/inchikey/QPYBPCGVZSEXOY-FMQUCBEESA-N/NMR/1H/CDCL3/250
Version
Author	Bettina Stanek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:53:46.766971
MetadataModified	2024-09-07T12:17:12.665503
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

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