Dataset

Citric acid, 77-92-9.aptjmod

Citric acid, 77-92-9

Chemical Info

molecular Image

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

Citric acid, 77-92-9.aptjmodHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p12.s76.d445
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D445
Version
Author	Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:47:57.458908
MetadataModified	2024-05-15T09:25:36.522410
MetadataPublished	2022-11-09 09:57:24

Field	Value
Measurement Technique	aptjmod
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 : 300.0458 K magnetic field strength : 11.74666647456691 Tesla number of scans : 128 scans nuclear magnetic resonance pulse sequence : jmod Spectral Width : 245.339873680557 number of data points : 11 points relaxation time measurement : 2 seconds