Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C30H26ClF2N3O2/c1-2-38-30(37)29-12-17(24-15-34-26-13-19(32)5-9-22(24)26)11-28(36(29)21-7-3-18(31)4-8-21)25-16-35-27-14-20(33)6-10-23(25)27/h3-10,13-17,28-29,34-35H,2,11-12H2,1H3
SMILES	CCOC(=O)C1CC(CC(N1c1ccc(cc1)Cl)c1c[nH]c2c1ccc(c2)F)c1c[nH]c2c1ccc(c2)F
InChI Key	ROXYZMBOQYBMSL-UHFFFAOYSA-N
Molecular Formula	C30H26ClF2N3O2
Exact Mass	533.996 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/ROXYZMBOQYBMSL-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/ROXYZMBOQYBMSL-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:16:22.363804
MetadataModified	2024-09-07T15:21:44.530246
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables