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/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
SMILES	O=C1OCc2c(C1)cccc2
InChI Key	ILHLUZUMRJQEAH-UHFFFAOYSA-N
Exact Mass	148.159 g/mol

Data and Resources

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

Field	Value
DOI	10.14272/ILHLUZUMRJQEAH-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/ILHLUZUMRJQEAH-UHFFFAOYSA-N/CHMO0000593
Version
Author	Jana Alpin
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:51:35.322650
MetadataModified	2024-09-23T09:25:14.592442
MetadataPublished	2024-06-18

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : CCP-3698 DMSO date : 20240607 starting time : 18.38 h instrument : spect label : JAL-40 id : 117733 Solvent : DMSO temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : CCP-3698 date : 20240607 starting time : 18.04 h instrument : spect label : JAL-40 id : 117733 Solvent : chloroform-D1 (CDCl3)