Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H17N/c1-2-3-6-10-14-11-9-12-7-4-5-8-13(12)14/h4-5,7-9,11H,2-3,6,10H2,1H3
SMILES CCCCCn1ccc2c1cccc2
InChI Key QWLCOOAYMQWDPR-UHFFFAOYSA-N
Molecular Formula C13H17N
Exact Mass 187.281 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QWLCOOAYMQWDPR-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QWLCOOAYMQWDPR-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:25:58.632140
MetadataModified 2024-09-07T15:36:07.443236
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
4318982 eMolecules
SCHEMBL4554026 SureChEMBL
CB92524976 ChemicalBook
J833.488I Nikkaji
DTXSID90392628 EPA CompTox Dashboard
ZINC000005309013 ZINC
3454683 PubChem
The data in this table is sourced from UniChem at EBI.