Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C36H44ClFN2O7/c1-19(2)25-15-6-20(3)16-30(25)47-34(42)27-18-29(36(44)46-5)40(32(27)22-9-13-24(38)14-10-22)33(41)26-17-28(35(43)45-4)39-31(26)21-7-11-23(37)12-8-21/h7-14,19-20,25-32,39H,6,15-18H2,1-5H3/t20-,25+,26-,27+,28-,29+,30-,31-,32+/m1/s1
SMILES	COC(=O)[C@@H]1C[C@@H]([C@@H](N1C(=O)[C@@H]1C[C@@H](N[C@@H]1c1ccc(cc1)Cl)C(=O)OC)c1ccc(cc1)F)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key	LLKLZNNYRPUEMA-CTADLLLLSA-N
Molecular Formula	C36H44ClFN2O7
Exact Mass	671.195 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LLKLZNNYRPUEMA-CTADLLLLSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/LLKLZNNYRPUEMA-CTADLLLLSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:19:06.677555
MetadataModified	2024-09-07T15:25:45.202995
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453554	PubChem
The data in this table is sourced from UniChem at EBI.