Dataset

Compound 5[HMBC]

Chemical Information

InChI	InChI=1S/C22H27NO3/c1-12-9-13(2)19-18-20(26-14(3)22(19,4)10-12)17(11-23-21(18)25)15-5-7-16(24)8-6-15/h5-8,11-14,19,24H,9-10H2,1-4H3,(H,23,25)/t12-,13+,14+,19?,22+/m1/s1
SMILES	C[C@@H]1C[C@H](C)C2C3=C(O[C@@H](C)[C@]2(C)C1)C(C1=CC=C(O)C=C1)=CNC3=O
InChI Key	YUVRNJMVVICARN-CZUUQKDGSA-N

Data and Resources

• Compound 5[HMBC]HTML
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• heteronuclear-multi...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p125.s1271.d5492
License URL
Source	https://nmrxiv.org/D5492
Version
Author
Maintainer
Language	english
MetadataPublished	2025-08-26T09:55:47.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : MeOD acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : Z120187_0015 (CP TCI 700S3 H-C/N-D-05 Z) Temperature : 297.9998 K magnetic field strength : 16.4509506616862 Tesla number of scans : 40 scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : [9.99767233165573, 234.593573588883] number of data points : [2048, 512] points relaxation time measurement : 1.5 seconds

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