Dataset

high-performance liquid chromatography-mass spectrometry (HPLC-MS)

Chemical Info

InChI	InChI=1S/C12H12N2O3S/c1-3-17-11-8(2)18-12(13-11)9-4-6-10(7-5-9)14(15)16/h4-7H,3H2,1-2H3
SMILES	CCOc1nc(sc1C)c1ccc(cc1)[N+](=O)[O-]
InChI Key	VDHCJOHMOYOLGM-UHFFFAOYSA-N
Molecular Formula	C12H12N2O3S
Exact Mass	264.300 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VDHCJOHMOYOLGM-UHFFFAOYSA-N/CHMO0000796
License URL
Source	https://www.chemotion-repository.net/inchikey/VDHCJOHMOYOLGM-UHFFFAOYSA-N/CHMO0000796
Version
Author	Eric Täuscher
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:05:54.679050
MetadataModified	2024-09-08T01:05:54.679055
MetadataPublished	2023-07-19
Related Molecule

Field	Value
Measurement Technique	high-performance liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168430089	PubChem
The data in this table is sourced from UniChem at EBI.