Dataset

Raffinose.

Chemical Info

molecular Image

InChI	InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5?,6-,7?,8+,9-,10?,11?,12?,13+,14+,15+,16+,17-,18+/m1/s1
SMILES	OCC1O[C@H](OCC2O[C@H](O[C@]3(CO)O[C@H](CO)C(O)[C@@H]3O)[C@@H](O)C(O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
InChI Key	MUPFEKGTMRGPLJ-GEPQCSQVSA-N

Data and Resources

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p34.s226.d1303
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1303
Version
Author	Markus Winkler, Katrin Steinke, Ramona Oehme, Prof. Dr. Stefan Berger, Prof. Dr. Dieter Sicker, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Klaus-Peter Zeller
Maintainer
Language	english
MetadataCreated	2024-04-22T15:44:01.653835
MetadataModified	2024-04-22T15:44:01.653848
MetadataPublished	2023-12-21 15:15:13

Field	Value
Measurement Technique	aptjmod
Measurement Variables	NMR solvent : D2O acquisition nucleus : 1H NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 Temperature : 298 K magnetic field strength : 16.444844184625595 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : selmlgp.ber Spectral Width : 2.99538060273868 number of data points : 2 points relaxation time measurement : 2 seconds