Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H16BrNO3/c1-22-14-5-3-12(4-6-14)11-20-8-7-15-16(18(21)23-2)9-13(19)10-17(15)20/h3-10H,11H2,1-2H3
SMILES	COc1ccc(cc1)Cn1ccc2c1cc(Br)cc2C(=O)OC
InChI Key	NSLHWLLKHINCSE-UHFFFAOYSA-N
Molecular Formula	C18H16BrNO3
Exact Mass	374.229 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/NSLHWLLKHINCSE-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NSLHWLLKHINCSE-UHFFFAOYSA-N/CHMO0000470
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:22:07.428941
MetadataModified	2024-09-08T01:22:07.428946
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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