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

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• Measurement

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
Measurement Technique
Measurement Variables	NMR solvent : cdcl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : s2pul Spectral Width : number of data points : 65536 points relaxation time measurement : seconds