Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-15-19-18(22)16-17-20(23-19)24-21(2,3)4/h16-17,19-20H,5-15H2,1-4H3/t19-,20?/m1/s1
SMILES	CCCCCCCCCCCC[C@H]1OC(C=CC1=O)OC(C)(C)C
InChI Key	ZDYYYIGTVOCEMS-FIWHBWSRSA-N
Molecular Formula	C21H38O3
Exact Mass	338.525 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZDYYYIGTVOCEMS-FIWHBWSRSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/ZDYYYIGTVOCEMS-FIWHBWSRSA-N/CHMO0000593
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:55:52.692742
MetadataModified	2024-09-07T23:46:48.146865
MetadataPublished	2022-11-16
Related Molecule

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

Data-Source Molecule ID	Data-Source
165416640	PubChem
The data in this table is sourced from UniChem at EBI.