Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C10H10BrN3O/c1-2-5-14-10(15)8-6-7(11)3-4-9(8)12-13-14/h3-4,6H,2,5H2,1H3
SMILES	CCCn1nnc2c(c1=O)cc(cc2)Br
InChI Key	HQVWMXAVNTVYAV-UHFFFAOYSA-N
Molecular Formula	C10H10BrN3O
Exact Mass	268.110 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HQVWMXAVNTVYAV-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source	https://www.chemotion-repository.net/inchikey/HQVWMXAVNTVYAV-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:26:25.535361
MetadataModified	2024-09-07T13:55:34.775006
MetadataPublished	2014-09-30

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
70810170	PubChem
SCHEMBL12963695	SureChEMBL
DTXSID10744029	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.