Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C35H43Cl3N2O16/c1-6-14-49-32-26(40-34(46)35(36,37)38)29(28(50-19(3)42)24(54-32)17-48-16-22-10-8-7-9-11-22)56-33-31(52-21(5)44)30(51-20(4)43)27(23(53-33)15-39-47)55-25(45)13-12-18(2)41/h6-11,15,23-24,26-33,47H,1,12-14,16-17H2,2-5H3,(H,40,46)/b39-15+/t23?,24?,26?,27-,28-,29-,30+,31?,32-,33+/m1/s1
SMILES	C=CCO[C@@H]1OC(COCc2ccccc2)[C@H]([C@@H](C1NC(=O)C(Cl)(Cl)Cl)O[C@@H]1OC(/C=N/O)[C@H]([C@@H](C1OC(=O)C)OC(=O)C)OC(=O)CCC(=O)C)OC(=O)C
InChI Key	VUVXXSCHOBBUQK-HLYBKJEQSA-N
Molecular Formula	C35H43Cl3N2O16
Exact Mass	854.079 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VUVXXSCHOBBUQK-HLYBKJEQSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/VUVXXSCHOBBUQK-HLYBKJEQSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:23:19.076238
MetadataModified	2024-09-07T15:31:56.761490
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.