Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C10H6F3NO/c1-2-7-3-5-8(6-4-7)9(14-15)10(11,12)13/h1,3-6,15H/b14-9-
SMILES	O/N=C(\C(F)(F)F)/c1ccc(cc1)C#C
InChI Key	AJFFNLLHXUNVSE-ZROIWOOFSA-N
Molecular Formula	C10H6F3NO
Exact Mass	213.156 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AJFFNLLHXUNVSE-ZROIWOOFSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/AJFFNLLHXUNVSE-ZROIWOOFSA-N/IR
Version
Author	Irina Protasova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:28:22.016659
MetadataModified	2024-09-07T12:38:57.189414
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427422	PubChem
The data in this table is sourced from UniChem at EBI.