Dataset

13c_JCAMP.

This dataset contains NMR spectra obtained for the sample -13c_JCAMP date: 2014/02/13 13:12:22.000 isFt: true name: 13c_HEE301 type: NMR SPECTRUM isFid: false lastX: -792.299370655 title: HEE301_20140213_13.1H firstX: 6391.608675325 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 15:51:34.000 isFt: true name: 13c_HEE301 type: NMR SPECTRUM isFid: false lastX: -1439.72306524 title: HEE301_20140213_13.13C firstX: 23560.27693476 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/c1-5-6-7-8-9-10-11-12-13-14-17-21(23)18(22)15-16-19(21)24-20(2,3)4/h15-16,19,23H,5-14,17H2,1-4H3
SMILES	[CH:1]1([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[C:2]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:16][CH2:17][CH2:18][CH3:19])([OH:15])[C:3](=[O:6])[CH:4]=[CH:5]1
InChI Key	XYTFEHOVKCFNQD-UHFFFAOYSA-N

Data and Resources

13c_JCAMP.HTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p57.s379.d1953
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1953
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	2024-05-15T09:18:59.223373
MetadataModified	2025-02-03T16:16:48.363662
MetadataPublished	2024-01-19 09:20:10
Related Molecule

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

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