Dataset

Ethyl cinnamate, 103-36-6.hmbc

Chemical Info

InChI	InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
SMILES	CCOC(=O)/C=C/C1=CC=CC=C1
InChI Key	KBEBGUQPQBELIU-CMDGGOBGSA-N
Molecular Formula	C11H12O2
Exact Mass	176.210 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p12.s75.d437
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D437
Version
Author	Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:47:42.002128
MetadataModified	2024-05-15T09:25:06.030941
MetadataPublished	2022-11-09 09:57:24

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 PABBO BB/19F-1H/D Z-GRD Z119470/0029 Temperature : 300.0038 K irradiation frequency : 500.25 MHz , 125.787963 MHz magnetic field strength : 11.749169218428053 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : 13.0142480847597 , 229.741377113779 number of data points : 2 points relaxation time measurement : 1.5 seconds