Dataset

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

Chemical Info

InChI	InChI=1S/C27H26N2O5/c1-15-24(28-25(30)16-9-11-17(32-2)12-10-16)23-21(13-18(33-3)14-22(23)34-4)27(15)20-8-6-5-7-19(20)26(31)29-27/h5-15,24H,1-4H3,(H,28,30)(H,29,31)/t15-,24-,27+/m1/s1
SMILES	COc1ccc(cc1)C(=O)N[C@H]1c2c(OC)cc(cc2[C@@]2([C@@H]1C)NC(=O)c1c2cccc1)OC
InChI Key	KOCQLRVVUZNBMK-SOTSVMSQSA-N
Molecular Formula	C27H26N2O5
Exact Mass	458.506 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KOCQLRVVUZNBMK-SOTSVMSQSA-N/CHMO0000763
License URL
Source	https://www.chemotion-repository.net/inchikey/KOCQLRVVUZNBMK-SOTSVMSQSA-N/CHMO0000763
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:06:21.319947
MetadataModified	2024-09-08T02:06:21.319952
MetadataPublished	2023-12-15

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

Data-Source Molecule ID	Data-Source
169452735	PubChem
The data in this table is sourced from UniChem at EBI.