Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H11IN2S2/c12-9-2-4-10(5-3-9)14-13-8-11-15-6-1-7-16-11/h2-5,8H,1,6-7H2/b14-13+
SMILES	Ic1ccc(cc1)/N=N/C=C1SCCCS1
InChI Key	NCZWEFQTMQHSJW-BUHFOSPRSA-N
Molecular Formula	C11H11IN2S2
Exact Mass	362.253 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NCZWEFQTMQHSJW-BUHFOSPRSA-N/NMR/1H/CDCL3/250
License URL
Source	https://www.chemotion-repository.net/inchikey/NCZWEFQTMQHSJW-BUHFOSPRSA-N/NMR/1H/CDCL3/250
Version
Author	Bettina Stanek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:23:13.324363
MetadataModified	2024-09-07T12:31:05.290231
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
ZINC000210531393	ZINC
The data in this table is sourced from UniChem at EBI.