Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C15H22O5S/c1-2-21-15-13(18)14(12(17)11(8-16)20-15)19-9-10-6-4-3-5-7-10/h3-7,11-18H,2,8-9H2,1H3/t11-,12-,13-,14+,15+/m1/s1
SMILES	CCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OCc1ccccc1)O
InChI Key	QZYDYKUQPIMRSF-ZSAUSMIDSA-N
Molecular Formula	C15H22O5S
Exact Mass	314.397 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/NMR/1H/CDCl3/400
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:32:50.689759
MetadataModified	2024-09-07T11:51:24.247170
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
15469585	PubChem: Thomson Pharma
10448363	PubChem
J2.695.374J	Nikkaji
The data in this table is sourced from UniChem at EBI.