Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C23H28O6S/c1-3-30-23-19(24)21(26-13-15-7-5-4-6-8-15)20-18(28-23)14-27-22(29-20)16-9-11-17(25-2)12-10-16/h4-12,18-24H,3,13-14H2,1-2H3/t18-,19-,20-,21-,22?,23+/m1/s1
SMILES	CCS[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1O)OCc1ccccc1)c1ccc(cc1)OC
InChI Key	NTNBOCGETUUYDM-UWPRFDSFSA-N
Molecular Formula	C23H28O6S
Exact Mass	432.530 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/NTNBOCGETUUYDM-UWPRFDSFSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/NTNBOCGETUUYDM-UWPRFDSFSA-N/NMR/1H/CDCl3/400
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:54:00.633406
MetadataModified	2024-09-07T13:17:04.488764
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427481	PubChem
J3.540.566F	Nikkaji
The data in this table is sourced from UniChem at EBI.