Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C37H46Cl3NO17/c1-7-15-50-34-28(41-36(48)37(38,39)40)31(29(52-21(4)44)25(55-34)17-49-16-24-11-9-8-10-12-24)58-35-33(54-23(6)46)32(53-22(5)45)30(26(56-35)18-51-20(3)43)57-27(47)14-13-19(2)42/h7-12,25-26,28-35H,1,13-18H2,2-6H3,(H,41,48)/t25?,26?,28?,29-,30-,31-,32+,33?,34-,35+/m1/s1
SMILES	C=CCO[C@@H]1OC(COCc2ccccc2)[C@H]([C@@H](C1NC(=O)C(Cl)(Cl)Cl)O[C@@H]1OC(COC(=O)C)[C@H]([C@@H](C1OC(=O)C)OC(=O)C)OC(=O)CCC(=O)C)OC(=O)C
InChI Key	BUJFZXPWKQQQHT-JDVBPAGGSA-N
Molecular Formula	C37H46Cl3NO17
Exact Mass	883.117 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BUJFZXPWKQQQHT-JDVBPAGGSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/BUJFZXPWKQQQHT-JDVBPAGGSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:23:15.945258
MetadataModified	2024-09-07T15:31:53.195221
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.