Dataset

Caripyrin.dept

caripyrin_1314534-36-5

Chemical Info

molecular Image
InChI InChI=1S/C10H11NO3/c1-6-9(14-6)7-3-4-8(11-5-7)10(12)13-2/h3-6,9H,1-2H3/t6-,9+/m0/s1
SMILES COC(=O)C1=NC=C([C@@H]2O[C@H]2C)C=C1
InChI Key DLDOQXDHLFJKLM-IMTBSYHQSA-N
Molecular Formula C10H11NO3
Exact Mass 193.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p14.s81.d481
License URL https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source https://nmrxiv.org/D481
Version
Author Rieger PH, Liermann JC, Opatz T, Anke H, Thines E.
Maintainer
Language english
MetadataCreated 2024-04-22T15:32:17.480946
MetadataModified 2024-09-23T09:27:54.762152
MetadataPublished 2022-11-10 17:46:02
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['13C']

NMR spectrum by dimensionality : 1

NMR probe : Z75812_0080 (CP TCI 600S3 H-C/N-D-05 Z)

Temperature : 293.9982 K

magnetic field strength : 14.092007892665164 Tesla

number of scans : 64 scans

nuclear magnetic resonance pulse sequence : deptsp135

Spectral Width : 240.074384493944

number of data points : 11 points

relaxation time measurement : 2 seconds