Dataset

2-exo-2-Ethoxyvirgiboidine (15)[13]

Chemical Information

molecular Image
InChI InChI=1S/C17H28N2O2/c1-3-5-9-18-11-13-10-14(12-18)17(20)19-15(13)7-6-8-16(19)21-4-2/h3,13-16H,1,4-12H2,2H3/t13-,14+,15+,16-/m0/s1
SMILES C=CCCN1C[C@H]2C[C@@H](C1)[C@H]1CCC[C@H](OCC)N1C2=O
InChI Key DFURNQDXURHNHN-JJXSEGSLSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p124.s1264.d5446
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5446
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 heteronuclear multiple bond coherence
Measurement Variables
NMR solvent : CDCl3

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

NMR spectrum by dimensionality : 2

NMR probe : 5 mm CPPBBO BB-1H/19F/D Z-GRD Z122624/0017

Temperature : 292.9992 K

magnetic field strength : 11.746350827011339 Tesla

number of scans : 8 scans

nuclear magnetic resonance pulse sequence : hmbcgplpndqf

Spectral Width : [7.74989218588169, 222.094971475211]

number of data points : 14 points

relaxation time measurement : 1.393504 seconds

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