Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
SMILES SCc1ccc(cc1)CS
InChI Key IYPNRTQAOXLCQW-UHFFFAOYSA-N
Molecular Formula C8H10S2
Exact Mass 170.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IYPNRTQAOXLCQW-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IYPNRTQAOXLCQW-UHFFFAOYSA-N/IR
Version
Author Joshua Kramer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:03:56.809952
MetadataModified 2024-09-07T13:31:54.476194
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
66043 PubChem
SCHEMBL127369 SureChEMBL
CB6348355 ChemicalBook
K48UBZ9IMD FDA SRS
DTXSID1059313 EPA CompTox Dashboard
ZINC000000388282 ZINC
MCULE-9201172948 Mcule
J182.192J Nikkaji
105-09-9 ACToR
482264 eMolecules
16214598 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.