Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-12(14)9-10-13(11)15/h9-12,14H,2-8H2,1H3/t11-,12+/m1/s1
SMILES	CCCCCCCC[C@@H]1[C@@H](O)C=CC1=O
InChI Key	YVUMNOUOTTWTRW-NEPJUHHUSA-N
Molecular Formula	C13H22O2
Exact Mass	210.313 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/YVUMNOUOTTWTRW-NEPJUHHUSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/YVUMNOUOTTWTRW-NEPJUHHUSA-N/CHMO0000593
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:58:31.061612
MetadataModified	2024-09-07T23:50:18.988557
MetadataPublished	2022-11-16
Related Molecule

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

Data-Source Molecule ID	Data-Source
165416627	PubChem
The data in this table is sourced from UniChem at EBI.