Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C36H40N2O5S/c1-3-38(4-2)29-14-19-32-28(22-34(44)43-33(32)23-29)24-42-36(40)37-20-21-41-31-17-12-27(13-18-31)35(25-8-6-5-7-9-25)26-10-15-30(39)16-11-26/h10-19,22-23,39H,3-9,20-21,24H2,1-2H3,(H,37,40)
SMILES	CCN(c1ccc2c(c1)oc(=S)cc2COC(=O)NCCOc1ccc(cc1)C(=C1CCCCC1)c1ccc(cc1)O)CC
InChI Key	UISCOOXDOFRXSD-UHFFFAOYSA-N
Molecular Formula	C36H40N2O5S
Exact Mass	612.778 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UISCOOXDOFRXSD-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/UISCOOXDOFRXSD-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:12:21.138137
MetadataModified	2024-09-07T15:15:47.544087
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453458	PubChem
The data in this table is sourced from UniChem at EBI.