Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C24H18S3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15,25-27H
SMILES	Sc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)S)c1ccc(cc1)S
InChI Key	HSJCTVWOPXUHNA-UHFFFAOYSA-N
Molecular Formula	C24H18S3
Exact Mass	402.595 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HSJCTVWOPXUHNA-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/HSJCTVWOPXUHNA-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:21:55.663433
MetadataModified	2024-09-07T15:29:55.464207
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
J2.957.623H	Nikkaji
101800472	PubChem
The data in this table is sourced from UniChem at EBI.