Dataset

9a_JCAMP.

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s348.d1880
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1880
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 2024-05-15T09:28:28.376277
MetadataModified 2024-09-23T09:38:07.878730
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