Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C8H16O5S/c1-2-14-8-7(12)6(11)5(10)4(3-9)13-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
SMILES	CCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
InChI Key	CHAHFVCHPSPXOE-CBQIKETKSA-N
Molecular Formula	C8H16O5S
Exact Mass	224.275 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CHAHFVCHPSPXOE-CBQIKETKSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/CHAHFVCHPSPXOE-CBQIKETKSA-N/NMR/1H/CDCl3/400
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:51:16.352133
MetadataModified	2024-09-07T12:09:42.992812
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
CB6332567	ChemicalBook
ZINC000022011689	ZINC
16180314	PubChem: Thomson Pharma
SCHEMBL1521579	SureChEMBL
11106991	PubChem
J494.904H	Nikkaji
The data in this table is sourced from UniChem at EBI.