Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H10N2O3S/c1-7-11(14)12-10(17-7)6-8-2-4-9(5-3-8)13(15)16/h2-7H,1H3,(H,12,14)/b10-6-
SMILES	O=C1N/C(=C/c2ccc(cc2)[N+](=O)[O-])/SC1C
InChI Key	PGDGUAOXLLTZJC-POHAHGRESA-N
Molecular Formula	C11H10N2O3S
Exact Mass	250.274 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PGDGUAOXLLTZJC-POHAHGRESA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/PGDGUAOXLLTZJC-POHAHGRESA-N/CHMO0000593
Version
Author	Eric Täuscher
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:50:32.127722
MetadataModified	2024-09-08T01:50:32.127727
MetadataPublished	2023-11-07

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

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