Dataset

Compound 1[HMBC]

Chemical Information

InChI	InChI=1S/C17H25NO4/c1-10-8-16(3,20)9-17(4)11(2)22-12-6-7-18(21-5)15(19)13(12)14(10)17/h6-7,10-11,14,20H,8-9H2,1-5H3/t10-,11-,14?,16-,17-/m0/s1
SMILES	CON1C=CC2=C(C1=O)C1[C@@H](C)C[C@](C)(O)C[C@@]1(C)[C@H](C)O2
InChI Key	REFAQQNQMUEYFH-FHIRTICSSA-N

Data and Resources

• Compound 1[HMBC]HTML
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• heteronuclear-multi...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p125.s1269.d5476
License URL
Source	https://nmrxiv.org/D5476
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 : 16 scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : [8.39862366164704, 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.