Dataset

5a_JCAMP.

Chemical Info

InChI	InChI=1S/C13H22O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-12,14H,2-7,9H2,1H3
SMILES	CCCCCCCCC(O)C1=CC=CO1
InChI Key	WCDUEUSLTDIZHW-UHFFFAOYSA-N
Molecular Formula	C13H22O2
Exact Mass	210.310 g/mol

Data and Resources

• 5a_JCAMP.HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p57.s353.d1887
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1887
Version
Author	Toni Ditfe, Dr. Eileen Bette, Dr. Haider N. Sultani, Dr. Alexander Otto, Prof. Dr. Ludger A. Wessjohann, Dr. Norbert Arnold, Prof. Dr. Bernhard Westermann
Maintainer
Language	english
MetadataCreated	2024-05-15T09:01:11.430162
MetadataModified	2024-09-23T09:37:45.183449
MetadataPublished	2024-01-19 09:20:10

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
J956.559K	Nikkaji
10021662	NMRShiftDB
15713154	PubChem: Thomson Pharma
10679980	PubChem
The data in this table is sourced from UniChem at EBI.