Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C10H8BrN3O3/c1-17-9(15)5-14-10(16)7-4-6(11)2-3-8(7)12-13-14/h2-4H,5H2,1H3
SMILES	COC(=O)Cn1nnc2c(c1=O)cc(cc2)Br
InChI Key	UZLGFYPXFKDTNC-UHFFFAOYSA-N
Molecular Formula	C10H8BrN3O3
Exact Mass	298.093 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/UZLGFYPXFKDTNC-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source	https://www.chemotion-repository.net/inchikey/UZLGFYPXFKDTNC-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:24:11.160337
MetadataModified	2024-09-07T13:52:15.024987
MetadataPublished	2014-09-23

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

Data-Source Molecule ID	Data-Source
13442350	PubChem
The data in this table is sourced from UniChem at EBI.