Dataset

6a_JCAMP.

Chemical Info

InChI	InChI=1S/C13H20O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-11H,2-7,9H2,1H3
SMILES	CCCCCCCCC(=O)C1=CC=CO1
InChI Key	IVMLTMNCNAILQF-UHFFFAOYSA-N
Molecular Formula	C13H20O2
Exact Mass	208.300 g/mol

Data and Resources

• 6a_JCAMP.HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p57.s319.d1835
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1835
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	2024-05-15T08:03:04.559500
MetadataModified	2024-09-23T10:40:51.024473
MetadataPublished

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
J371.321K	Nikkaji
3779043	PubChem
16203377	PubChem: Thomson Pharma
SCHEMBL4382929	SureChEMBL
4323817	eMolecules
The data in this table is sourced from UniChem at EBI.