Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C52H58BrClFN3O11/c1-8-43(59)56-39(50(63)66-5)24-36(44(56)29-12-9-15-32(53)21-29)47(60)57-40(51(64)67-6)25-37(45(57)30-13-10-16-33(54)22-30)48(61)58-41(52(65)68-7)26-38(46(58)31-14-11-17-34(55)23-31)49(62)69-42-20-28(4)18-19-35(42)27(2)3/h8-17,21-23,27-28,35-42,44-46H,1,18-20,24-26H2,2-7H3/t28-,35+,36+,37-,38+,39+,40-,41+,42-,44+,45-,46+/m1/s1
SMILES	COC(=O)[C@@H]1C[C@@H]([C@@H](N1C(=O)[C@@H]1C[C@@H](N([C@@H]1c1cccc(c1)Cl)C(=O)[C@H]1C[C@H](N([C@H]1c1cccc(c1)Br)C(=O)C=C)C(=O)OC)C(=O)OC)c1cccc(c1)F)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key	IBBVNHFCQCTQGU-LPCLAJPDSA-N
Molecular Formula	C52H58BrClFN3O11
Exact Mass	1035.386 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
  Explore

  • More information
  • Go to resource

• infrared-absorption...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IBBVNHFCQCTQGU-LPCLAJPDSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/IBBVNHFCQCTQGU-LPCLAJPDSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:19:44.887677
MetadataModified	2024-09-07T15:26:43.773594
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453570	PubChem
The data in this table is sourced from UniChem at EBI.