Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H19N3O9/c1-6(18)22-5-10-12(23-7(2)19)13(24-8(3)20)11(16-17-15)14(26-10)25-9(4)21/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14?/m1/s1
SMILES	[N-]=[N+]=N[C@H]1C(OC(=O)C)O[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C
InChI Key	QKGHBQJLEHAMKJ-GNMOMJPPSA-N
Molecular Formula	C14H19N3O9
Exact Mass	373.315 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QKGHBQJLEHAMKJ-GNMOMJPPSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/QKGHBQJLEHAMKJ-GNMOMJPPSA-N/IR
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:24:49.014001
MetadataModified	2024-09-07T12:33:32.279696
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
10872412	PubChem
J773.659B	Nikkaji
SCHEMBL2184272	SureChEMBL
222908	Brenda
CB1225011	ChemicalBook
15917400	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.