Dataset

Citric acid, 77-92-9.dept

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.d441
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D441
Version
Author	Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:47:26.406619
MetadataModified	2024-09-23T09:35:46.120246
MetadataPublished	2022-11-09 09:57:24

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm PABBO BB/19F-1H/D Z-GRD Z119470/0029 Temperature : 300.0902 K magnetic field strength : 11.74666647456691 Tesla number of scans : 128 scans nuclear magnetic resonance pulse sequence : deptsp135 Spectral Width : 200.734630327864 number of data points : 23 points relaxation time measurement : 2 seconds