Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H16NO/c1-6-10-7-8-11-12(9-10)14(4,5)15(16)13(11,2)3/h1,7-9H,2-5H3
SMILES C#Cc1ccc2c(c1)C(C)(C)N(C2(C)C)[O]
InChI Key MEBOKUYVJSYXCR-UHFFFAOYSA-N
Molecular Formula C14H16NO
Exact Mass 214.283 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MEBOKUYVJSYXCR-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/MEBOKUYVJSYXCR-UHFFFAOYSA-N/CHMO0000630
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-06
Related Molecule
  • 5-ethynyl-2-lambda1-oxidanyl-1,1,3,3-tetramethylisoindole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.642.423B Nikkaji
    102478696 PubChem
    The data in this table is sourced from UniChem at EBI.