Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3
SMILES CCCCCCCCCCCN
InChI Key QFKMMXYLAPZKIB-UHFFFAOYSA-N
Molecular Formula C11H25N
Exact Mass 171.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QFKMMXYLAPZKIB-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QFKMMXYLAPZKIB-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:30:37.171808
MetadataModified 2024-09-07T15:42:57.292581
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
15120461 PubChem: Thomson Pharma
7307-55-3 ACToR
SCHEMBL131526 SureChEMBL
CB5729209 ChemicalBook
J97.643A Nikkaji
UZE26A4KO1 FDA SRS
ZINC000001545437 ZINC
DTXSID3022249 EPA CompTox Dashboard
533116 eMolecules
81742 PubChem
The data in this table is sourced from UniChem at EBI.