infrared absorption spectroscopy (IR)

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Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image

InChI	InChI=1S/C20H13NS2/c1-3-19(22-9-1)13-5-7-17-15(11-13)16-12-14(6-8-18(16)21-17)20-4-2-10-23-20/h1-12,21H
SMILES	c1csc(c1)c1ccc2c(c1)c1cc(ccc1[nH]2)c1cccs1
InChI Key	VFFMMTGRCBFHJJ-UHFFFAOYSA-N
Exact Mass	331.454 g/mol

Data and Resources

infrared absorption spectroscopy (IR)HTML

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Metadata Information

Field	Value
DOI	10.14272/VFFMMTGRCBFHJJ-UHFFFAOYSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/VFFMMTGRCBFHJJ-UHFFFAOYSA-N/CHMO0000630
Version
Author	Victor Larignon
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-05-08T07:20:48Z
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
29009541	surechembl
30382728	surechembl
90859392	pubchem
The data in this table is sourced from UniChem at EBI.