Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C26H21BrN2O4/c1-15-24(14-27)29-23-13-21(17-6-10-19(11-7-17)26(31)33-3)20(12-22(23)28-15)16-4-8-18(9-5-16)25(30)32-2/h4-13H,14H2,1-3H3
SMILES	COC(=O)c1ccc(cc1)c1cc2nc(CBr)c(nc2cc1c1ccc(cc1)C(=O)OC)C
InChI Key	ZZMMSPYWOSXXGJ-UHFFFAOYSA-N
Molecular Formula	C26H21BrN2O4
Exact Mass	505.360 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/ZZMMSPYWOSXXGJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZZMMSPYWOSXXGJ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:37:52.509292
MetadataModified	2024-09-07T22:13:17.272006
MetadataPublished	2022-04-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163197213	PubChem
The data in this table is sourced from UniChem at EBI.