Dataset

Carapin H (OC3_LentaBr_0619_CMB23)[15]

This dataset contains NMR spectra obtained for the sample -Carapin H (OC3_LentaBr_0619_CMB23) Nucleus: 1H NMR Solvent: MeOD NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: 1d Temperature: 298.0003 Observed Frequency: 600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 19.8368493381866 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 600.133705802 Nucleus: 13C NMR Solvent: MeOD NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: 1d Temperature: 298.0014 Observed Frequency: 150.902808526 Magnetic Field Strength: 14.09286355384592 Number of Scans: 4096 NMR Pulse Sequence: zgpg30 Spectral Width: 236.647117383728 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 150.917898807 Nucleus: 13C NMR Solvent: MeOD NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: dept Temperature: 297.9996 Observed Frequency: 150.902808526 Magnetic Field Strength: 14.09286355384592 Number of Scans: 256 NMR Pulse Sequence: deptsp135 Spectral Width: 157.767899965848 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 150.91488075 Nucleus: 1H,1H NMR Solvent: MeOD NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: cosy Temperature: 297.9991 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 2 NMR Pulse Sequence: cosygpppqf Spectral Width: 11.9021176366777,11.9020999999008 Number of Data Points: 2048,128 Relaxation Delay: 2 Observed Frequency: 600.13330072,600.13330072 Nucleus: 1H,13C NMR Solvent: MeOD NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: hmqc Temperature: 297.9995 Observed Frequency: 600.13,150.902809 Magnetic Field Strength: 14.095010308659894 Number of Scans: 4 NMR Pulse Sequence: hmqcgpqf Spectral Width: 11.9021176366777,164.999999482852 Number of Data Points: 1024,128 Relaxation Delay: 1.5 Observed Frequency: 600.13330072,150.91412671 Nucleus: 1H,13C NMR Solvent: MeOD NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: hmbc Temperature: 298.0002 Observed Frequency: 600.13,150.902809 Magnetic Field Strength: 14.095010308659894 Number of Scans: 16 NMR Pulse Sequence: hmbcgpndqf Spectral Width: 11.9021176366777,239.999999250963 Number of Data Points: 4096,128 Relaxation Delay: 1.5 Observed Frequency: 600.13330072,150.92016282 Nucleus: 1H,1H NMR Solvent: MeOD NMR Probe: Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) NMR Pulse Sequence: noesy Temperature: 298.0011 Observed Frequency: 600.13,600.13 Magnetic Field Strength: 14.095010308659894 Number of Scans: 8 NMR Pulse Sequence: noesygpphpp Spectral Width: 5.70650843445304,5.70650843445305 Number of Data Points: 2048,256 Relaxation Delay: 1.881216 Observed Frequency: 600.131862343392,600.131862343392

Chemical Information

molecular Image
InChI InChI=1S/C21H34O3/c1-12(22)15-6-7-16-14-5-4-13-10-18(23)19(24)11-21(13,3)17(14)8-9-20(15,16)2/h4,12,14-19,22-24H,5-11H2,1-3H3/t12-,14?,15+,16?,17?,18+,19-,20-,21+/m1/s1
SMILES C[C@@H](O)[C@@H]1CCC2C3CC=C4C[C@H](O)[C@H](O)C[C@]4(C)C3CC[C@@]21C
InChI Key WOQLWYRVTIVLDD-WBJINTJGSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p151.s1514.d6670
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D6670
Version
Author
Maintainer
Language english
MetadataPublished 2025-12-10T17:26:12.000000Z
Related Molecule
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
NMR solvent : MeOD

acquisition nucleus : ['1H', '13C']

NMR spectrum by dimensionality : 2

NMR probe : Z168773_0003 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT)

Temperature : 298.0002 K

magnetic field strength : 14.095010308659894 Tesla

number of scans : 16 scans

nuclear magnetic resonance pulse sequence : hmbcgpndqf

Spectral Width : [11.9021176366777, 239.999999250963]

number of data points : [4096, 128] points

relaxation time measurement : 1.5 seconds

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