1H nuclear magnetic resonance spectroscopy (1H NMR)

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The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR,...

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Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image

InChI	InChI=1S/C14H7BrO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H
SMILES	Brc1cccc2c1C(=O)c1ccccc1C2=O
InChI Key	CXTPIHZYOGDSLV-UHFFFAOYSA-N
Exact Mass	287.108 g/mol

Data and Resources

1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

Field	Value
DOI	10.14272/CXTPIHZYOGDSLV-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/CXTPIHZYOGDSLV-UHFFFAOYSA-N/CHMO0000593
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:33:49.470917
MetadataModified	2024-09-23T09:26:43.030051
MetadataPublished	2024-08-28

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : FAS-632-83-7 date : 20240524 starting time : 16.51 h instrument : spect label : FAS-122 id : 117347 Solvent : DMSO temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : FAS-632-83-7 date : 20240525 starting time : 5.52 h instrument : spect label : FAS-122 id : 117347 Solvent : chloroform-D1 (CDCl3)