Dataset

16485-10-2.hsqc

Chemical Info

InChI	InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)
SMILES	CC(C)(CO)C(O)C(=O)NCCCO
InChI Key	SNPLKNRPJHDVJA-UHFFFAOYSA-N
Molecular Formula	C9H19NO4
Exact Mass	205.250 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p10.s60.d282
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D282
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:14:19.318074
MetadataModified	2024-05-15T08:30:59.260444
MetadataPublished	2022-10-28 13:30:58

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H , 15N 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 , 50.677733 MHz magnetic field strength : 11.746350827011339 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : hsqcetgp Spectral Width : 9.99735451944193 , 100.015507178826 number of data points : [1024, 120] points relaxation time measurement : 2 seconds