Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H20N2O2S2/c1-9(2,3)13-8(12)11-5-7-15-14-6-4-10/h4-7,10H2,1-3H3,(H,11,12)
SMILES NCCSSCCNC(=O)OC(C)(C)C
InChI Key XGHNLHVZHBSTHO-UHFFFAOYSA-N
Molecular Formula C9H20N2O2S2
Exact Mass 252.397 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XGHNLHVZHBSTHO-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XGHNLHVZHBSTHO-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:11:08.244704
MetadataModified 2024-09-07T15:13:56.347199
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
HY-140098 MedChemExpress
ZINC000078317375 ZINC
J1.943.705A Nikkaji
SCHEMBL1584489 SureChEMBL
36250382 eMolecules
22245556 PubChem
The data in this table is sourced from UniChem at EBI.