Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C26H34FNO5/c1-6-23(29)28-21(26(31)32-5)14-19(24(28)18-9-7-8-10-20(18)27)25(30)33-22-13-16(4)11-12-17(22)15(2)3/h6-10,15-17,19,21-22,24H,1,11-14H2,2-5H3/t16-,17+,19+,21+,22-,24+/m1/s1
SMILES	COC(=O)[C@@H]1C[C@@H]([C@@H](N1C(=O)C=C)c1ccccc1F)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key	CKJWVSMCJDJCHV-HACPEWMUSA-N
Molecular Formula	C26H34FNO5
Exact Mass	459.550 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CKJWVSMCJDJCHV-HACPEWMUSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/CKJWVSMCJDJCHV-HACPEWMUSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:19:59.181851
MetadataModified	2024-09-07T15:27:05.577147
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453576	PubChem
The data in this table is sourced from UniChem at EBI.