Dataset

Compound 35[HMBC]

This dataset contains NMR spectra obtained for the sample -Compound 35 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: 1d Temperature: 298.0918 Observed Frequency: 100.612769 Magnetic Field Strength: 9.39626001094152 Number of Scans: 256 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: 298.1126 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: 298.0786 Observed Frequency: 400.13,400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 1 NMR Pulse Sequence: cosygpppqf Spectral Width: 17.5011836149094,17.5011836149094 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 400.133000975,400.133000975 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: hmbc Temperature: 298.0912 Observed Frequency: 400.13,100.612768526 Magnetic Field Strength: 9.397691291560301 Number of Scans: 4 NMR Pulse Sequence: hmbcgpl2ndqf Spectral Width: 17.5011836149094,240.048385639511 Number of Data Points: 2048,256 Relaxation Delay: 1.5 Observed Frequency: 400.133000975,100.623835930538 Nucleus: 1H,13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0035 NMR Pulse Sequence: hsqc Temperature: 298.1223 Observed Frequency: 400.13,100.612768526 Magnetic Field Strength: 9.397691291560301 Number of Scans: 2 NMR Pulse Sequence: hsqcetgpsi2 Spectral Width: 17.5011836149094,178.10557964561 Number of Data Points: 1024,256 Relaxation Delay: 1.451667 Observed Frequency: 400.133000975,100.620918160251

Chemical Information

InChI	InChI=1S/C12H20O5/c1-2-5-10-11(15)8(13)6-3-4-7-9(14)12(16)17-10/h9-11,14-15H,2-7H2,1H3/t9-,10+,11-/m0/s1
SMILES	CCC[C@H]1OC(=O)[C@@H](O)CCCCC(=O)[C@@H]1O
InChI Key	QFERWHKGXVNSHR-AXFHLTTASA-N

Data and Resources

Compound 35[HMBC]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p156.s1582.d7042
License URL
Source	https://nmrxiv.org/D7042
Version
Author
Maintainer
Language	english
MetadataPublished	2026-01-05T09:02:12.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear multiple bond 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 : 298.0912 K magnetic field strength : 9.397691291560301 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : hmbcgpl2ndqf Spectral Width : [17.5011836149094, 240.048385639511] number of data points : [2048, 256] points relaxation time measurement : 1.5 seconds

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