Dataset

Amygdalin.c13

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

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.57992/nmrxiv.p42.s242.d1396
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1396
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T15:49:48.230699
MetadataModified	2024-09-23T09:29:40.916058
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm BBO BB-1H-D Z-GRD Z8248/080 Temperature : 298 K magnetic field strength : 9.391505939358051 Tesla number of scans : 1024 scans nuclear magnetic resonance pulse sequence : zgdc Spectral Width : 199.650185201374 number of data points : 9 points relaxation time measurement : 1 seconds