Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C19H15Br2NO/c1-23-19-12-10-18(11-13-19)22(16-6-2-14(20)3-7-16)17-8-4-15(21)5-9-17/h2-13H,1H3
SMILES	COc1ccc(cc1)N(c1ccc(cc1)Br)c1ccc(cc1)Br
InChI Key	ZOISYEZQRCIVDZ-UHFFFAOYSA-N
Molecular Formula	C19H15Br2NO
Exact Mass	433.136 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZOISYEZQRCIVDZ-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/ZOISYEZQRCIVDZ-UHFFFAOYSA-N/CHMO0000595
Version
Author	Henrik Tappert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-02-25T11:58:04.539330
MetadataModified	2025-02-25T12:04:54.757053
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : Feb29-2024 Date : 20240301 Start time : 7.24 h Instrument : Avance NEO Label : HT-1462 ID : 320873 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
SCHEMBL8319450	SureChEMBL
21311049	PubChem
J2.112.795G	Nikkaji
The data in this table is sourced from UniChem at EBI.