Dataset

11c_JCAMP.

This dataset contains NMR spectra obtained for the sample -11c_JCAMP date: 2014/02/11 10:23:49.000 isFt: true name: 11c_HEE297 type: NMR SPECTRUM isFid: false lastX: -791.582254262 title: HEE297_20140211_03.1H firstX: 6392.325791718 nucleus: 1H solvent: cdcl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: null pulseSequence: s2pul numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS originFrequency: 399.8146759 acquisitionScheme: undefined date: 2014/02/11 13:46:19.000 isFt: true name: 11c_HEE297 type: NMR SPECTRUM isFid: false lastX: -1440.53404529 title: HEE297_20140211_03.13C firstX: 23559.465954710002 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/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-15-19-18(22)16-17-20(23-19)24-21(2,3)4/h16-17,19-20H,5-15H2,1-4H3
SMILES	[CH:1]1=[CH:2][CH:3]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[O:4][CH:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[C:6]1=[O:7]
InChI Key	ZDYYYIGTVOCEMS-UHFFFAOYSA-N

Data and Resources

11c_JCAMP.HTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p57.s358.d1892
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1892
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	2024-05-15T09:01:49.450108
MetadataModified	2025-02-03T16:08:15.989805
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.