Dataset

Compound 3[COSY]

Chemical Information

InChI	InChI=1S/C16H23NO3/c1-9-7-15(3,19)8-16(4)10(2)20-11-5-6-17-14(18)12(11)13(9)16/h5-6,9-10,13,19H,7-8H2,1-4H3,(H,17,18)/t9-,10-,13?,15-,16-/m0/s1
SMILES	C[C@@H]1OC2=C(C(=O)NC=C2)C2[C@@H](C)C[C@](C)(O)C[C@]21C
InChI Key	VZXFHTHHPKHERP-ZEMFCDKWSA-N

Data and Resources

• Compound 3[COSY]HTML
  Go to source

• correlation-spectro...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p125.s1273.d5504
License URL
Source	https://nmrxiv.org/D5504
Version
Author
Maintainer
Language	english
MetadataPublished	2025-08-26T09:55:47.000000Z
Related Molecule

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : MeOD acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : Z120187_0015 (CP TCI 700S3 H-C/N-D-05 Z) Temperature : 298.0007 K magnetic field strength : 16.4509506616862 Tesla number of scans : 10 scans nuclear magnetic resonance pulse sequence : cosygpppqf Spectral Width : [9.99767233165573, 9.99767233165574] 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.