Dataset

1H nuclear magnetic resonance spectroscopy (1H 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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• Molecule Data-Sources

Field	Value
DOI	10.14272/CHXSUHPBNKDSEJ-LURJTMIESA-N/NMR/1H/CDCl3/400.1
License URL
Source	https://www.chemotion-repository.net/inchikey/CHXSUHPBNKDSEJ-LURJTMIESA-N/NMR/1H/CDCl3/400.1
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:26:34.414021
MetadataModified	2024-09-07T13:55:38.308465
MetadataPublished	2014-10-22
Related Molecule

Field	Value
Measurement Technique	1H 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.