Dataset

Citric acid, 77-92-9.hmqc

Chemical Info

InChI	InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
SMILES	O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI Key	KRKNYBCHXYNGOX-UHFFFAOYSA-N
Molecular Formula	C6H8O7
Exact Mass	192.120 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p12.s76.d448
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D448
Version
Author	Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language	english
MetadataCreated	2024-04-22T15:31:13.117730
MetadataModified	2024-09-23T09:27:49.573092
MetadataPublished	2022-11-09 09:57:24

Field	Value
Measurement Technique	heteronuclear multiple quantum coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm PABBO BB/19F-1H/D Z-GRD Z119470/0029 Temperature : 300.0251 K magnetic field strength : 11.749169218428053 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : hmqcgpqf Spectral Width : [10.1027198666864, 229.741377113779] number of data points : 3 points relaxation time measurement : 1.5 seconds