Dataset

Fourier transform infrared spectroscopy (FTIR)

Chemical Info

InChI	InChI=1S/C12H14N6O2/c1-8(9-2-4-10(19)5-3-9)13-16-12(20)7-6-11-14-17-18-15-11/h2-5,19H,6-7H2,1H3,(H,16,20)(H,14,15,17,18)/b13-8+
SMILES	O=C(CCc1nnn[nH]1)N/N=C(/c1ccc(cc1)O)\C
InChI Key	LLVFBEKEDCMPGV-MDWZMJQESA-N
Molecular Formula	C12H14N6O2
Exact Mass	274.279 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LLVFBEKEDCMPGV-MDWZMJQESA-N/CHMO0000636
License URL
Source	https://www.chemotion-repository.net/inchikey/LLVFBEKEDCMPGV-MDWZMJQESA-N/CHMO0000636
Version
Author	Andreas Link
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:57:52.131527
MetadataModified	2024-09-08T00:57:52.131532
MetadataPublished	2023-05-16

Field	Value
Measurement Technique	Fourier transform infrared spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
168059107	PubChem
The data in this table is sourced from UniChem at EBI.