Dataset

Cnicin.proton

Chemical Info

InChI	InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5-,14-8+/t15-,16+,17+,18+/m1/s1
SMILES	C=C1C(=O)O[C@H]2/C=C(/CO)CC/C=C(/C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]12
InChI Key	ZTDFZLVUIVPZDU-NRSQRZTFSA-N

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p42.s237.d1362
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1362
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T15:47:48.686828
MetadataModified	2024-09-23T09:29:27.913869
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 Temperature : 300 K magnetic field strength : 14.095010340939984 Tesla number of scans : 8 scans nuclear magnetic resonance pulse sequence : zg Spectral Width : 8.01105513688132 number of data points : 3 points relaxation time measurement : 1 seconds