Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C13H18O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,13-
SMILES	CO[C@@H]1CC[C@H](CC1)c1ccccc1
InChI Key	ISSFAAFZIJMWHN-JOCQHMNTSA-N
Molecular Formula	C13H18O
Exact Mass	190.281 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ISSFAAFZIJMWHN-JOCQHMNTSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/ISSFAAFZIJMWHN-JOCQHMNTSA-N/NMR/1H/CDCl3/400
Version
Author	Stephanie Lindner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:00:22.037526
MetadataModified	2024-09-07T13:26:39.621828
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL18710338	SureChEMBL
The data in this table is sourced from UniChem at EBI.