Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
SMILES	O=Cc1c(C)cc(cc1C)C
InChI Key	HIKRJHFHGKZKRI-UHFFFAOYSA-N
Exact Mass	148.202 g/mol

Data and Resources

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

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• Measurement

Field	Value
DOI	10.14272/HIKRJHFHGKZKRI-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/HIKRJHFHGKZKRI-UHFFFAOYSA-N/CHMO0000595
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:11:48.158608
MetadataModified	2024-09-23T09:21:16.544146
MetadataPublished	2023-12-15

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-3687 Date : 20231214 Start time : 14.07 h Instrument : spect Label : CCP-3517 ID : 287605 Solvent : DMSO Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : CCP-3687 Date : 20231214 Start time : 4.14 h Instrument : spect Label : CCP-3517 ID : 287605 Solvent : chloroform-D1 (CDCl3)