Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H13IN2O4/c21-16-3-1-2-4-17(16)22-23-18-11-14(20(26)27)9-10-15(18)12-5-7-13(8-6-12)19(24)25/h1-11H,(H,24,25)(H,26,27)/b23-22+
SMILES	OC(=O)c1ccc(c(c1)/N=N/c1ccccc1I)c1ccc(cc1)C(=O)O
InChI Key	FWUGMSWHSVFDDB-GHVJWSGMSA-N
Molecular Formula	C20H13IN2O4
Exact Mass	472.233 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/FWUGMSWHSVFDDB-GHVJWSGMSA-N/Mass.1
License URL
Source	https://www.chemotion-repository.net/inchikey/FWUGMSWHSVFDDB-GHVJWSGMSA-N/Mass.1
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:01:14.661403
MetadataModified	2024-09-07T14:59:29.696215
MetadataPublished	2019-04-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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