Dataset

Virgiboidine (12)[12]

Chemical Information

InChI	InChI=1S/C15H24N2O/c1-2-3-7-16-10-12-9-13(11-16)15(18)17-8-5-4-6-14(12)17/h2,12-14H,1,3-11H2/t12-,13+,14+/m0/s1
SMILES	C=CCCN1C[C@H]2C[C@@H](C1)[C@H]1CCCCN1C2=O
InChI Key	OVDXBBGESPZTTF-BFHYXJOUSA-N

Data and Resources

• Virgiboidine (12)[12]HTML
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• correlation-spectro...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p124.s1258.d5412
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5412
Version
Author	Arses K.; Gibbons W. A.; Phillipson J. D.; Mascagni P.
Maintainer
Language	english
MetadataPublished	2025-08-18T08:13:00.000000Z
Related Molecule

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm CPPBBO BB-1H/19F/D Z-GRD Z122624/0017 Temperature : 292.9991 K magnetic field strength : 11.746350827011339 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : cosygpppqf Spectral Width : [7.4054521558209, 7.4054521558209] number of data points : 17 points relaxation time measurement : 1.87671 seconds

Data-Source Molecule ID	Data-Source
60068114	NMRShiftDB
ZINC000206985906	ZINC
J3.182.683G	Nikkaji
163688864	PubChem: Thomson Pharma
71604449	PubChem
The data in this table is sourced from UniChem at EBI.