Dataset

11b_JCAMP.

This dataset contains NMR spectra obtained for the sample -11b_JCAMP date: 2014/02/21 09:13:48.000 isFt: true name: 11b_HEE312 type: NMR SPECTRUM isFid: false lastX: -791.292286205 title: HEE312_20140221_01.1H firstX: 6392.615759775 nucleus: 1H solvent: cdcl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: null pulseSequence: s2pul numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS originFrequency: 399.8146759 acquisitionScheme: undefined date: 2014/02/21 10:57:14.000 isFt: true name: 11b_HEE312 type: NMR SPECTRUM isFid: false lastX: -1440.52786582 title: HEE312_20140221_01.13C firstX: 23559.47213418 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/C19H34O3/c1-5-6-7-8-9-10-11-12-13-17-16(20)14-15-18(21-17)22-19(2,3)4/h14-15,17-18H,5-13H2,1-4H3
SMILES	[CH:1]1=[CH:2][CH:3]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[O:4][CH:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[C:6]1=[O:7]
InChI Key	KLVPWNXZZLQNQO-UHFFFAOYSA-N

Data and Resources

11b_JCAMP.HTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p57.s338.d1864
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1864
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	2024-05-15T09:19:42.270443
MetadataModified	2024-09-23T09:38:02.850664
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.