Dataset

MC047_9.hsqc

Chemical Info

InChI	InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
SMILES	CCCCCC1=CC=CC(=O)O1
InChI Key	MAUFTTLGOUBZNA-UHFFFAOYSA-N
Molecular Formula	C10H14O2
Exact Mass	166.220 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p9.s49.d175
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D175
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Author
Maintainer
Language	english
MetadataCreated	2024-04-22T15:47:23.622924
MetadataModified	2024-05-15T08:13:12.258884
MetadataPublished	2022-10-28 13:22:44

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 CPPBBO BB-1H/19F/D Z-GRD Z130037/0004 Temperature : 298.0006 K irradiation frequency : 600.13 MHz , 150.902809 MHz magnetic field strength : 14.095010340939984 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.3 Spectral Width : 12.0165706887958 , 164.833782497567 number of data points : 20 points relaxation time measurement : 2 seconds