13C nuclear magnetic resonance spectroscopy (13C 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

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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

13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

Field	Value
DOI	10.14272/ILHLUZUMRJQEAH-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/ILHLUZUMRJQEAH-UHFFFAOYSA-N/CHMO0000595
Version
Author	Jana Alpin
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:51:43.625786
MetadataModified	2024-09-23T09:25:16.415385
MetadataPublished	2024-06-18

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : CCP-3698 DMSO Date : 20240608 Start time : 18.17 h Instrument : spect Label : JAL-40 ID : 117733 Solvent : DMSO Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : CCP-3698 Date : 20240608 Start time : 6.13 h Instrument : spect Label : JAL-40 ID : 117733 Solvent : chloroform-D1 (CDCl3)