Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C8H5ClF3NO/c9-6-3-1-5(2-4-6)7(13-14)8(10,11)12/h1-4,14H/b13-7-
SMILES	O/N=C(\C(F)(F)F)/c1ccc(cc1)Cl
InChI Key	DHFHLGPVGBSNLI-QPEQYQDCSA-N
Molecular Formula	C8H5ClF3NO
Exact Mass	223.580 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DHFHLGPVGBSNLI-QPEQYQDCSA-N/NMR/1H/CDCl3/250.1
License URL
Source	https://www.chemotion-repository.net/inchikey/DHFHLGPVGBSNLI-QPEQYQDCSA-N/NMR/1H/CDCl3/250.1
Version
Author	Irina Protasova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:34:16.009270
MetadataModified	2024-09-07T14:07:53.911691
MetadataPublished	2015-09-23
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL9799906	SureChEMBL
65686-85-3	ACToR
5484598	PubChem
The data in this table is sourced from UniChem at EBI.