Dataset

50-78-2.c13

Chemical Info

InChI	InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
SMILES	CC(=O)OC1=CC=CC=C1C(=O)O
InChI Key	BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Molecular Formula	C9H8O4
Exact Mass	180.160 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p10.s56.d229
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D229
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:50:32.320602
MetadataModified	2024-05-15T09:30:56.208979
MetadataPublished	2022-10-28 13:30:58

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 13C NMR spectrum by dimensionality : 1 NMR probe : 5 mm Multinuclear inverse Z-grad Z8255/0040 Temperature : 298 K magnetic field strength : 7.047530271949235 Tesla number of scans : 256 scans nuclear magnetic resonance pulse sequence : zgdc30 Spectral Width : 240.023590140204 number of data points : 32768 points relaxation time measurement : 1.5 seconds