Dataset

10a_JCAMP.

Chemical Info

InChI	InChI=1S/C13H22O3/c1-2-3-4-5-6-7-8-12-11(14)9-10-13(15)16-12/h9-10,12-13,15H,2-8H2,1H3
SMILES	[CH:1]1=[CH:2][CH:3]([OH:8])[O:4][CH:5]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[C:6]1=[O:7]
InChI Key	IWXIQYYOEMWJQO-UHFFFAOYSA-N
Molecular Formula	C13H22O3
Exact Mass	226.310 g/mol

Data and Resources

• 10a_JCAMP.HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p57.s350.d1884
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1884
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	2024-05-15T08:46:09.668838
MetadataModified	2024-09-23T09:37:31.758732
MetadataPublished	2024-01-19 09:20:10

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
13437531	PubChem
103910027	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.