Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H10IN3O3/c1-6(11(17)18-2)15-10(16)8-5-7(12)3-4-9(8)13-14-15/h3-6H,1-2H3/t6-/m0/s1
SMILES	COC(=O)[C@@H](n1nnc2c(c1=O)cc(cc2)I)C
InChI Key	CHXSUHPBNKDSEJ-LURJTMIESA-N
Molecular Formula	C11H10IN3O3
Exact Mass	359.120 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/CHXSUHPBNKDSEJ-LURJTMIESA-N/NMR/13C/CDCl3/100.1
License URL
Source	https://www.chemotion-repository.net/inchikey/CHXSUHPBNKDSEJ-LURJTMIESA-N/NMR/13C/CDCl3/100.1
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:26:32.213343
MetadataModified	2024-09-07T13:55:41.863649
MetadataPublished	2014-10-22

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

Data-Source Molecule ID	Data-Source
85468703	PubChem
The data in this table is sourced from UniChem at EBI.