Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1
SMILES	CCS[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI Key	YPNFVZQPWZMHIF-LJIZCISZSA-N
Molecular Formula	C16H24O9S
Exact Mass	392.421 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YPNFVZQPWZMHIF-LJIZCISZSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/YPNFVZQPWZMHIF-LJIZCISZSA-N/IR
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:25:03.251053
MetadataModified	2024-09-07T12:33:54.694212
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
16015101	PubChem: Thomson Pharma
SCHEMBL4181385	SureChEMBL
10960161	PubChem
26748184	eMolecules
CB9731426	ChemicalBook
J789.855J	Nikkaji
POCTEI	CCDC
ZINC000033358925	ZINC
The data in this table is sourced from UniChem at EBI.