Dataset

Compound 23a-b[HSQC]

This dataset contains NMR spectra obtained for the sample -Compound 23a-b Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: 1d Temperature: 298.1066 Observed Frequency: 100.612769 Magnetic Field Strength: 9.39626001094152 Number of Scans: 1024 NMR Pulse Sequence: zgpg30 Spectral Width: 250.960929380182 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 100.623333340745 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: 1d Temperature: 298.0942 Observed Frequency: 400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 24.9916902020906 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 400.133000975 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: cosy Temperature: 298.1079 Observed Frequency: 400.13,400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 1 NMR Pulse Sequence: cosygpppqf Spectral Width: 8.0931922515079,8.0931922515079 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 400.13160052,400.13160052 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: hmbc Temperature: 298.1039 Observed Frequency: 400.13,100.612768526 Magnetic Field Strength: 9.397691291560301 Number of Scans: 4 NMR Pulse Sequence: hmbcgpl2ndqf Spectral Width: 8.0931922515079,240.048385639511 Number of Data Points: 2048,256 Relaxation Delay: 1.5 Observed Frequency: 400.13160052,100.623835930538 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: hsqc Temperature: 298.1595 Observed Frequency: 400.13,100.612768526 Magnetic Field Strength: 9.397691291560301 Number of Scans: 2 NMR Pulse Sequence: hsqcetgpsi2 Spectral Width: 8.0931922515079,178.10557964561 Number of Data Points: 1024,256 Relaxation Delay: 1.451667 Observed Frequency: 400.13160052,100.620918160251 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: noesy Temperature: 298.0886 Observed Frequency: 400.13,400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 4 NMR Pulse Sequence: noesygpphpp Spectral Width: 8.0931922515079,8.0931922515079 Number of Data Points: 2048,128 Relaxation Delay: 1.928319 Observed Frequency: 400.13160052,400.13160052

Chemical Information

molecular Image
InChI InChI=1S/2C18H26O8/c2*1-3-4-11-15(20)16(21)17-12(25-17)5-6-13(18(22)26-11)24-14(19)8-7-10-9(2)23-10/h2*7-13,15-17,20-21H,3-6H2,1-2H3/b2*8-7+/t9-,10-,11+,12+,13-,15+,16+,17-;9-,10-,11-,12-,13+,15-,16-,17+/m01/s1
SMILES CCC[C@H]1OC(=O)[C@@H](OC(=O)/C=C/[C@@H]2O[C@H]2C)CC[C@H]2O[C@@H]2[C@H](O)[C@@H]1O.CCC[C@H]1OC(=O)[C@@H](OC(=O)/C=C/[C@H]2O[C@@H]2C)CC[C@H]2O[C@@H]2[C@H](O)[C@@H]1O
InChI Key OBTTYSWGFNAIFM-ITGSDBJPSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p156.s1592.d7105
License URL
Source https://nmrxiv.org/D7105
Version
Author
Maintainer
Language english
MetadataPublished 2026-01-05T09:02:12.000000Z
Related Molecule
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
NMR solvent : CDCl3

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

NMR spectrum by dimensionality : 2

NMR probe : 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035

Temperature : 298.1595 K

magnetic field strength : 9.397691291560301 Tesla

number of scans : 2 scans

nuclear magnetic resonance pulse sequence : hsqcetgpsi2

Spectral Width : [8.0931922515079, 178.10557964561]

number of data points : [1024, 256] points

relaxation time measurement : 1.451667 seconds

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