Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H13NOS/c1-2-17-12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3
SMILES CCOc1ccc(cc1)c1nc2c(s1)cccc2
InChI Key NAUXHTYTQIQZJI-UHFFFAOYSA-N
Molecular Formula C15H13NOS
Exact Mass 255.335 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NAUXHTYTQIQZJI-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NAUXHTYTQIQZJI-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:34:11.049033
MetadataModified 2024-09-07T17:09:00.702373
MetadataPublished 2020-02-28
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-7817611518 Mcule
3969908 PubChem
SCHEMBL13198328 SureChEMBL
16157001 PubChem: Thomson Pharma
5418771 eMolecules
CHEMBL1808313 ChEMBL
J1.834.637K Nikkaji
ZINC000001508065 ZINC
DTXSID30398301 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.