Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
SMILES	COc1ccc(cc1)C=O
InChI Key	ZRSNZINYAWTAHE-UHFFFAOYSA-N
Exact Mass	136.148 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/ZRSNZINYAWTAHE-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/ZRSNZINYAWTAHE-UHFFFAOYSA-N/CHMO0000595
Version
Author	Grace Hunt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:26:18.657674
MetadataModified	2024-09-23T09:26:10.298602
MetadataPublished	2024-08-07

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : GH_123-11-5_DMSO Date : 20240721 Start time : 5.51 h Instrument : AVIII300 Label : GEH-57 ID : 119459 Solvent : DMSO Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : GH_123-11-5_DMSO Date : 20240721 Start time : 5.51 h Instrument : AVIII300 Label : GEH-57 ID : 119459 Solvent : DMSO