Dataset

94-26-8.c13

Chemical Info

InChI	InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
SMILES	CCCCOC(=O)C1=CC=C(O)C=C1
InChI Key	QFOHBWFCKVYLES-UHFFFAOYSA-N
Molecular Formula	C11H14O3
Exact Mass	194.230 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p1.s2.d6
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T15:30:34.565187
MetadataModified	2024-09-23T09:27:46.864766
MetadataPublished	2022-10-27 12:43:59

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 BBI 1H-BB-D Z-GRD LTB Z5542/0003 Temperature : 298 K magnetic field strength : 11.743848685759856 Tesla number of scans : 1024 scans nuclear magnetic resonance pulse sequence : zgdc30 Spectral Width : 220.859969296446 number of data points : 16384 points relaxation time measurement : 2 seconds