Dataset

Compound 26[HSQC]

This dataset contains NMR spectra obtained for the sample -Compound 26 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: Z116098_0484 (PA BBO 400S1 BBF-H-D-05 Z SP) NMR Pulse Sequence: 1d Temperature: 297.2579 Observed Frequency: 100.622826534 Magnetic Field Strength: 9.397199287391937 Number of Scans: 195 NMR Pulse Sequence: zgpg30 Spectral Width: 238.872816045487 Number of Data Points: 32768 Relaxation Delay: 3 Observed Frequency: 100.632888817 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: Z116098_0484 (PA BBO 400S1 BBF-H-D-05 Z SP) NMR Pulse Sequence: 1d Temperature: 296.8082 Observed Frequency: 400.17 Magnetic Field Strength: 9.398630755363722 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 20.0234176324172 Number of Data Points: 65536 Relaxation Delay: 1 Observed Frequency: 400.172471049 Nucleus: 1H,1H NMR Solvent: CDCl3 NMR Probe: Z116098_0484 (PA BBO 400S1 BBF-H-D-05 Z SP) NMR Pulse Sequence: cosy Temperature: 296.6978 Observed Frequency: 400.17,400.17 Magnetic Field Strength: 9.398630755363722 Number of Scans: 1 NMR Pulse Sequence: cosygpppqf Spectral Width: 8.3969371327278,8.4025654264725 Number of Data Points: 2048,128 Relaxation Delay: 2 Observed Frequency: 400.171515,400.17240102 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: Z116098_0484 (PA BBO 400S1 BBF-H-D-05 Z SP) NMR Pulse Sequence: hmbc Temperature: 296.6346 Observed Frequency: 400.17,100.622826534 Magnetic Field Strength: 9.398630755363722 Number of Scans: 4 NMR Pulse Sequence: hmbcgplpndqf Spectral Width: 8.3969371327278,219.847547510455 Number of Data Points: 2048,128 Relaxation Delay: 1.5 Observed Frequency: 400.171515,100.632888817 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: Z116098_0484 (PA BBO 400S1 BBF-H-D-05 Z SP) NMR Pulse Sequence: hsqc Temperature: 297.1605 Observed Frequency: 400.17,100.622826534 Magnetic Field Strength: 9.398630755363722 Number of Scans: 2 NMR Pulse Sequence: hsqcetgpsi2 Spectral Width: 8.3969371327278,165.072384661193 Number of Data Points: 1024,256 Relaxation Delay: 1.5 Observed Frequency: 400.171515,100.630373246

Chemical Information

molecular Image
InChI InChI=1S/C12H20O4/c1-2-6-10-12(15)9(13)7-4-3-5-8-11(14)16-10/h10,12,15H,2-8H2,1H3/t10-,12+/m1/s1
SMILES CCC[C@H]1OC(=O)CCCCCC(=O)[C@@H]1O
InChI Key HCONCNBKBHNCHN-PWSUYJOCSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p156.s1576.d7010
License URL
Source https://nmrxiv.org/D7010
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 : Z116098_0484 (PA BBO 400S1 BBF-H-D-05 Z SP)

Temperature : 297.1605 K

magnetic field strength : 9.398630755363722 Tesla

number of scans : 2 scans

nuclear magnetic resonance pulse sequence : hsqcetgpsi2

Spectral Width : [8.3969371327278, 165.072384661193]

number of data points : [1024, 256] points

relaxation time measurement : 1.5 seconds

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