Dataset

Compound 7[HMBC]

Chemical Information

InChI	InChI=1S/C17H25NO3/c1-10-8-11(2)15-14-13(6-7-18(20-5)16(14)19)21-12(3)17(15,4)9-10/h6-7,10-12,15H,8-9H2,1-5H3/t10-,11+,12+,15?,17+/m1/s1
SMILES	CON1C=CC2=C(C1=O)C1[C@@H](C)C[C@@H](C)C[C@@]1(C)[C@H](C)O2
InChI Key	DPARKPYITVXEDI-OGOBOKFSSA-N

Data and Resources

• Compound 7[HMBC]HTML
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• heteronuclear-multi...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p125.s1275.d5518
License URL
Source	https://nmrxiv.org/D5518
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 : Z168772_0016 (CPP1.1 BBO 500S2 BB-H&F-D-05 Z XT) Temperature : 298.0103 K magnetic field strength : 11.749873789372923 Tesla number of scans : 20 scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : [8.49860600188097, 235.164939999305] 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.