Dataset

Compound 2[ROESY]

Chemical Information

InChI	InChI=1S/C17H25NO4/c1-10-7-12(9-19)8-17(3)11(2)22-13-5-6-18(21-4)16(20)14(13)15(10)17/h5-6,10-12,15,19H,7-9H2,1-4H3/t10-,11-,12+,15?,17-/m0/s1
SMILES	CON1C=CC2=C(C1=O)C1[C@@H](C)C[C@@H](CO)C[C@@]1(C)[C@H](C)O2
InChI Key	IJGVVUOPQLNOAQ-CMDUJWMZSA-N

Data and Resources

• Compound 2[ROESY]HTML
  Go to source

• rotating-frame-over...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p125.s1270.d5486
License URL
Source	https://nmrxiv.org/D5486
Version
Author
Maintainer
Language	english
MetadataPublished	2025-08-26T09:55:47.000000Z
Related Molecule

Field	Value
Measurement Technique	rotating frame Overhauser effect spectroscopy
Measurement Variables	NMR solvent : MeOD acquisition nucleus : ['1H', '1H'] 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 : roesyphpp.2 Spectral Width : [9.20856187874496, 9.21139093001339] number of data points : [2048, 512] points relaxation time measurement : 2 seconds

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