Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H15N3O4S/c13-15-14-6-8-9(16)10(17)11(18)12(19-8)20-7-4-2-1-3-5-7/h1-5,8-12,16-18H,6H2/t8?,9-,10+,11?,12+/m1/s1
SMILES	[N-]=[N+]=NCC1O[C@@H](Sc2ccccc2)C([C@H]([C@@H]1O)O)O
InChI Key	NHBXZVUESURQSL-ZVCXTHFISA-N
Molecular Formula	C12H15N3O4S
Exact Mass	297.330 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
  Explore

  • More information
  • Go to resource

• infrared-absorption...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NHBXZVUESURQSL-ZVCXTHFISA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/NHBXZVUESURQSL-ZVCXTHFISA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:20:33.675762
MetadataModified	2024-09-07T15:27:54.778655
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453588	PubChem
The data in this table is sourced from UniChem at EBI.