Dataset

94-26-8.hmbc

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.d7
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D7
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:43:34.438784
MetadataModified	2024-05-15T09:16:26.045420
MetadataPublished	2022-10-27 12:43:59

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm BBI 1H-BB-D Z-GRD LTB Z5542/0003 Temperature : 298 K irradiation frequency : 500.13 MHz , 125.757789 MHz magnetic field strength : 11.746350827011339 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : 9.83991648062129 , 200.025123157018 number of data points : [2048, 512] points relaxation time measurement : 2.5 seconds