Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

Chemical Info

InChI	InChI=1S/C27H26N2O4/c1-15-9-11-17(12-10-15)25(30)28-24-16(2)27(20-8-6-5-7-19(20)26(31)29-27)21-13-18(32-3)14-22(33-4)23(21)24/h5-14,16,24H,1-4H3,(H,28,30)(H,29,31)/t16-,24-,27+/m1/s1
SMILES	COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)C)C
InChI Key	FGPDWKCDLHHVMZ-JCDPWUBBSA-N
Molecular Formula	C27H26N2O4
Exact Mass	442.506 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FGPDWKCDLHHVMZ-JCDPWUBBSA-N/CHMO0000763
License URL
Source	https://www.chemotion-repository.net/inchikey/FGPDWKCDLHHVMZ-JCDPWUBBSA-N/CHMO0000763
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:09:23.792368
MetadataModified	2024-09-08T02:09:23.792372
MetadataPublished	2023-12-15

Field	Value
Measurement Technique	attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
169452734	PubChem
The data in this table is sourced from UniChem at EBI.