Dataset

50-78-2.hmbc

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.d230
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D230
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:50:29.703205
MetadataModified	2024-05-15T09:30:51.128834
MetadataPublished	2022-10-28 13:30:58

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm Multinuclear inverse Z-grad Z8255/0040 Temperature : 298 K irradiation frequency : 300.13 MHz , 75.467749 MHz magnetic field strength : 7.049031799154046 Tesla number of scans : 8 scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : 7.97862034392448 , 180.01967261365 number of data points : [1024, 256] points relaxation time measurement : 1.5 seconds