Dataset

Caripyrin.c13

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

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p14.s81.d482
License URL	https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source	https://nmrxiv.org/D482
Version
Author	Rieger PH, Liermann JC, Opatz T, Anke H, Thines E.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:48:20.793848
MetadataModified	2024-09-23T09:35:50.902543
MetadataPublished	2022-11-10 17:46:02

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
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 : 293.9999 K magnetic field strength : 14.092007892665164 Tesla number of scans : 64 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 258.830195782534 number of data points : 20 points relaxation time measurement : 0.8 seconds

Data-Source Molecule ID	Data-Source
50936726	PubChem
J2.864.283K	Nikkaji
20204179	NMRShiftDB
The data in this table is sourced from UniChem at EBI.