Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C49H56BrClFN3O10/c1-25(2)33-17-16-26(3)18-40(33)65-46(58)36-24-39(49(61)64-6)55(43(36)29-12-9-15-32(52)21-29)45(57)35-23-38(48(60)63-5)54(42(35)28-11-8-14-31(51)20-28)44(56)34-22-37(47(59)62-4)53-41(34)27-10-7-13-30(50)19-27/h7-15,19-21,25-26,33-43,53H,16-18,22-24H2,1-6H3/t26-,33+,34+,35-,36+,37+,38-,39+,40-,41+,42-,43+/m1/s1
SMILES	COC(=O)[C@H]1N[C@H]([C@H](C1)C(=O)N1[C@H](C[C@H]([C@H]1c1cccc(c1)Cl)C(=O)N1[C@@H](C[C@@H]([C@@H]1c1cccc(c1)F)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(=O)OC)C(=O)OC)c1cccc(c1)Br
InChI Key	AFFNJUBBZUQAAF-IJTCTNLASA-N
Molecular Formula	C49H56BrClFN3O10
Exact Mass	981.338 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AFFNJUBBZUQAAF-IJTCTNLASA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/AFFNJUBBZUQAAF-IJTCTNLASA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:12:28.442214
MetadataModified	2024-09-07T15:15:58.435790
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453460	PubChem
The data in this table is sourced from UniChem at EBI.