Dataset

13a_JCAMP.

This dataset contains NMR spectra obtained for the sample -13a_JCAMP date: 2014/02/13 08:45:30.000 isFt: true name: 13a_HEE300 type: NMR SPECTRUM isFid: false lastX: -790.901250379 title: HEE300_S1A_20140213_01.1H firstX: 6393.006795601 nucleus: 1H solvent: cdcl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: null pulseSequence: s2pul numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS originFrequency: 399.8146759 acquisitionScheme: undefined date: 2014/02/13 10:17:47.000 isFt: true name: 13a_HEE300 type: NMR SPECTRUM isFid: false lastX: -1440.27057615 title: HEE300_S1A_20140213_01.13C firstX: 23559.72942385 nucleus: 13C solvent: cdcl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: null pulseSequence: s2pul numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS originFrequency: 100.5438351 acquisitionScheme: undefined

Chemical Info

InChI	InChI=1S/C17H30O3/c1-5-6-7-8-9-10-13-17(19)14(18)11-12-15(17)20-16(2,3)4/h11-12,15,19H,5-10,13H2,1-4H3
SMILES	[CH:1]1([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[C:2]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])([OH:15])[C:3](=[O:6])[CH:4]=[CH:5]1
InChI Key	TUCAXGNMUKBIKE-UHFFFAOYSA-N

Data and Resources

13a_JCAMP.HTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p57.s357.d1891
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1891
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	2024-05-15T09:29:16.900881
MetadataModified	2024-09-23T09:38:11.268568
MetadataPublished	2024-01-19 09:20:10

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.