Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C36H44Cl3NO17/c1-7-15-50-33-25(40-35(47)36(37,38)39)27(26(51-19(3)42)23(54-33)17-49-16-22-11-9-8-10-12-22)56-34-31(53-21(5)44)29(52-20(4)43)28(30(57-34)32(46)48-6)55-24(45)14-13-18(2)41/h7-12,23,25-31,33-34H,1,13-17H2,2-6H3,(H,40,47)/t23?,25?,26-,27-,28+,29+,30?,31?,33-,34-/m1/s1
SMILES	C=CCO[C@@H]1OC(COCc2ccccc2)[C@H]([C@@H](C1NC(=O)C(Cl)(Cl)Cl)O[C@@H]1OC(C(=O)OC)[C@H]([C@@H](C1OC(=O)C)OC(=O)C)OC(=O)CCC(=O)C)OC(=O)C
InChI Key	JDRCSSKXXWXWCY-HQXYPXBXSA-N
Molecular Formula	C36H44Cl3NO17
Exact Mass	869.090 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JDRCSSKXXWXWCY-HQXYPXBXSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/JDRCSSKXXWXWCY-HQXYPXBXSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:22:22.668992
MetadataModified	2024-09-07T15:30:34.195600
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.