Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C9H6F3NO2/c10-9(11,12)6-5-7-1-3-8(4-2-7)13(14)15/h1-6H/b6-5+
SMILES	FC(/C=C/c1ccc(cc1)[N+](=O)[O-])(F)F
InChI Key	WGVJEEXBVPTTFU-AATRIKPKSA-N
Molecular Formula	C9H6F3NO2
Exact Mass	217.145 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WGVJEEXBVPTTFU-AATRIKPKSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/WGVJEEXBVPTTFU-AATRIKPKSA-N/IR
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:01:24.754194
MetadataModified	2024-09-07T13:28:12.380718
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
15984732	PubChem: Thomson Pharma
SCHEMBL2997200	SureChEMBL
ZINC000034569376	ZINC
10932870	PubChem
The data in this table is sourced from UniChem at EBI.