Dataset

Triplinine J[102]

This dataset contains NMR spectra obtained for the sample -Triplinine J Nucleus: 1H NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: 1d Temperature: 297.967 Observed Frequency: 600.23 Magnetic Field Strength: 14.097358968168445 Number of Scans: 8 NMR Pulse Sequence: zg Spectral Width: 12.0145670747294 Number of Data Points: 76920 Relaxation Delay: 30 Observed Frequency: 600.232902 Nucleus: 1H,1H NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: cosy Temperature: 297.9657 Observed Frequency: 600.23,600.23 Magnetic Field Strength: 14.097358968168445 Number of Scans: 16 NMR Pulse Sequence: cosygpqf Spectral Width: 12.0145530755999,12.0030117181785 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 600.23360138,600.23360138 Nucleus: 1H,13C NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: hsqc Temperature: 298.0224 Observed Frequency: 600.23,150.927953546 Magnetic Field Strength: 14.097358968168445 Number of Scans: 48 NMR Pulse Sequence: hsqcedetgpsisp2.4 Spectral Width: 12.0145650900929,199.553643664195 Number of Data Points: 2048,256 Relaxation Delay: 5 Observed Frequency: 600.23300115,150.939273143 Nucleus: 1H,13C NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: hmbc Temperature: 297.9887 Observed Frequency: 600.23,150.927953546 Magnetic Field Strength: 14.097358968168445 Number of Scans: 48 NMR Pulse Sequence: hmbcgpl2ndqf Spectral Width: 12.0145530755999,250.947551390514 Number of Data Points: 2048,512 Relaxation Delay: 5 Observed Frequency: 600.23360138,150.943046341355 Nucleus: 1H,1H NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: noesy Temperature: 297.9785 Observed Frequency: 600.23,600.23 Magnetic Field Strength: 14.097358968168445 Number of Scans: 32 NMR Pulse Sequence: noesyph Spectral Width: 12.0145530755999,12.0030117181785 Number of Data Points: 3604,256 Relaxation Delay: 3 Observed Frequency: 600.23360138,600.23360138

Chemical Information

InChI	InChI=1S/C21H24O4/c22-18(11-5-4-10-17-8-2-1-3-9-17)16-19(23)12-6-13-20-14-7-15-21(24)25-20/h1-11,13,15,18-20,22-23H,12,14,16H2/b10-4+,11-5+,13-6+/t18-,19-,20-/m0/s1
SMILES	O=C1C=CC[C@H](/C=C/C[C@H](O)C[C@@H](O)/C=C/C=C/C2=CC=CC=C2)O1
InChI Key	SFAHVCWPDWRFQP-YCSXYCTESA-N

Data and Resources

Triplinine J[102]HTML

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Related Molecule ⌄

nfdi4chem-mol5858 (Unknown Molecule)

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p158.s1610.d7195
License URL	https://cdla.dev/permissive-1-0/
Source	https://nmrxiv.org/D7195
Version
Author
Maintainer
Language	english
MetadataPublished	2026-01-19T08:28:33.000000Z
Related Molecule	nfdi4chem-mol5858 (Unknown Molecule)

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : MeOD acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) Temperature : 298.0224 K magnetic field strength : 14.097358968168445 Tesla number of scans : 48 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.4 Spectral Width : [12.0145650900929, 199.553643664195] number of data points : [2048, 256] points relaxation time measurement : 5 seconds

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