Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H16O3/c1-5-10-6-11-9(4)12(15)7(2)8(3)13(11)17-14(10)16/h6,15H,5H2,1-4H3
SMILES CCc1cc2c(C)c(O)c(c(c2oc1=O)C)C
InChI Key CMIRTBGZCFHKOS-UHFFFAOYSA-N
Molecular Formula C14H16O3
Exact Mass 232.275 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CMIRTBGZCFHKOS-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/CMIRTBGZCFHKOS-UHFFFAOYSA-N/CHMO0000630
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-03-01
Related Molecule
  • 3-ethyl-6-hydroxy-5,7,8-trimethylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155804311 pubchem
    The data in this table is sourced from UniChem at EBI.