Dataset

Amygdalin.proton

Chemical Info

InChI	InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12-,13+,14-,15-,16-,17+,18+,19-,20-/m0/s1
SMILES	N#C[C@H](O[C@H]1O[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1
InChI Key	XUCIJNAGGSZNQT-NZTIWLTLSA-N

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p42.s242.d1394
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1394
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T15:32:48.521567
MetadataModified	2024-04-22T15:32:48.521573
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : MeOD acquisition nucleus : 1H NMR spectrum by dimensionality : 1 NMR probe : 5 mm TBI 1H-BB-D Z-GRD Z5627/001 Temperature : 298.1 K magnetic field strength : 9.3935106991479 Tesla number of scans : 1 scans nuclear magnetic resonance pulse sequence : zg Spectral Width : 10.0171819756792 number of data points : 26 points relaxation time measurement : 1 seconds