Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C36H44ClFN2O7/c1-19(2)21-15-14-20(3)16-30(21)47-34(42)25-18-29(36(44)46-5)40(32(25)23-11-7-9-13-27(23)38)33(41)24-17-28(35(43)45-4)39-31(24)22-10-6-8-12-26(22)37/h6-13,19-21,24-25,28-32,39H,14-18H2,1-5H3/t20-,21+,24-,25+,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]1c1ccccc1Cl)C(=O)OC)c1ccccc1F)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key	BKUJLOTXYHIGOJ-HQVVKEODSA-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/BKUJLOTXYHIGOJ-HQVVKEODSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/BKUJLOTXYHIGOJ-HQVVKEODSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:12:33.251248
MetadataModified	2024-09-07T15:16:05.434372
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453462	PubChem
The data in this table is sourced from UniChem at EBI.