Dataset

1314534-36-5.dept

NMR spectra were recorded with a Bruker AMX 400 spectrometer. The spectra were measured in CDCl3, and the chemical shifts were referenced to the residual solvent signal (CDCl3: δH=7.26 p.p.m., δC=77.16 p.p.m.10).

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
SMILES	COC(=O)C1=NC=C(C2OC2C)C=C1
InChI Key	DLDOQXDHLFJKLM-UHFFFAOYSA-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.p7.s46.d147
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D147
Version
Author	Rieger PH, Liermann JC, Opatz T, Anke H, Thines E.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:49:30.245969
MetadataModified	2024-05-15T09:28:47.215945
MetadataPublished	2022-10-28 11:26:28

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