Dataset

141-32-2.hsqc

Chemical Info

InChI	InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
SMILES	C=CC(=O)OCCCC
InChI Key	CQEYYJKEWSMYFG-UHFFFAOYSA-N
Molecular Formula	C7H12O2
Exact Mass	128.170 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p10.s64.d311
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D311
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T15:43:10.579282
MetadataModified	2024-05-15T08:11:26.542472
MetadataPublished	2022-10-28 13:30:58

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014 Temperature : 300 K irradiation frequency : 600.13 MHz , 150.902809 MHz magnetic field strength : 14.095010340939984 Tesla number of scans : 64 scans nuclear magnetic resonance pulse sequence : hsqcedetgp Spectral Width : 7.49235686957435 , 165.657191919706 number of data points : [1024, 256] points relaxation time measurement : 1.450029 seconds