Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H13N3O4S/c1-2-23-17(22)13-14(24-16(21)11-6-5-8-18-10-11)20-15(25-13)12-7-3-4-9-19-12/h3-10H,2H2,1H3
SMILES	CCOC(=O)c1sc(nc1OC(=O)c1cccnc1)c1ccccn1
InChI Key	DPNBPQMTXJNKBM-UHFFFAOYSA-N
Molecular Formula	C17H13N3O4S
Exact Mass	355.368 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DPNBPQMTXJNKBM-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/DPNBPQMTXJNKBM-UHFFFAOYSA-N/CHMO0000470
Version
Author	Eric Täuscher
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:10:38.712873
MetadataModified	2024-09-07T22:46:59.171565
MetadataPublished	2022-09-05

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889679	PubChem
The data in this table is sourced from UniChem at EBI.