Dataset

Compound 4[ROESY]

Chemical Information

InChI	InChI=1S/C16H23NO3/c1-9-7-10(2)14-13-12(5-6-17(19)15(13)18)20-11(3)16(14,4)8-9/h5-6,9-11,14,19H,7-8H2,1-4H3/t9-,10+,11+,14?,16+/m1/s1
SMILES	C[C@@H]1C[C@H](C)C2C3=C(C=CN(O)C3=O)O[C@@H](C)[C@]2(C)C1
InChI Key	YXWXVUSGNDTEJY-FXEGNCAESA-N

Data and Resources

• Compound 4[ROESY]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p125.s1272.d5501
License URL
Source	https://nmrxiv.org/D5501
Version
Author
Maintainer
Language	english
MetadataPublished	2025-08-26T09:55:47.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum 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 : 297.9985 K magnetic field strength : 16.4509506616862 Tesla number of scans : 18 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.3 Spectral Width : [9.01305308687146, 185.531404710943] number of data points : [512, 512] points relaxation time measurement : 2 seconds

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