Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C21H27NO11S/c1-11-6-8-16(9-7-11)34(27,28)29-10-17-19(30-13(3)24)20(31-14(4)25)18(22-12(2)23)21(33-17)32-15(5)26/h6-9,17-21H,10H2,1-5H3,(H,22,23)/t17?,18?,19-,20-,21?/m1/s1
SMILES	Cc1ccc(cc1)S(=O)(=O)OCC1OC(OC(=O)C)C([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C
InChI Key	GTYAFZSUNIIJHW-WKGRDNALSA-N
Molecular Formula	C21H27NO11S
Exact Mass	501.504 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/GTYAFZSUNIIJHW-WKGRDNALSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/GTYAFZSUNIIJHW-WKGRDNALSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:20:55.225009
MetadataModified	2024-09-07T15:28:26.467238
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables