Dataset

620-71-3.hmbc

Chemical Info

InChI	InChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
SMILES	CCC(=O)NC1=CC=CC=C1
InChI Key	ZTHRQJQJODGZHV-UHFFFAOYSA-N
Molecular Formula	C9H11NO
Exact Mass	149.190 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p10.s62.d292
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D292
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:40:27.132930
MetadataModified	2024-05-15T09:09:59.708280
MetadataPublished	2022-10-28 13:30:58

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 : 283 K irradiation frequency : 500.13 MHz , 125.757789 MHz magnetic field strength : 11.746350827011339 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : 9.18874585273666 , 219.943537888577 number of data points : [1024, 256] points relaxation time measurement : 1.2 seconds