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.d316
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D316
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:40:48.449623
MetadataModified	2024-09-23T09:35:07.737324
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 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