Dataset

Compound 1[1H]

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[1H]HTML
  Go to source

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p125.s1269.d5473
License URL
Source	https://nmrxiv.org/D5473
Version
Author
Maintainer
Language	english
MetadataPublished	2025-08-26T09:55:47.000000Z
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : MeOD acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 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 : 24 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 19.9886828383856 number of data points : 65536 points relaxation time measurement : 1 seconds

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