Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H16N2O4/c1-21-15(19)9-3-5-11(13(17)7-9)12-6-4-10(8-14(12)18)16(20)22-2/h3-8H,17-18H2,1-2H3
SMILES COC(=O)c1ccc(c(c1)N)c1ccc(cc1N)C(=O)OC
InChI Key CQJDGQODCKARGV-UHFFFAOYSA-N
Molecular Formula C16H16N2O4
Exact Mass 300.309 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CQJDGQODCKARGV-UHFFFAOYSA-N/IR.2
License URL
Source https://www.chemotion-repository.net/inchikey/CQJDGQODCKARGV-UHFFFAOYSA-N/IR.2
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • methyl 3-amino-4-(2-amino-4-methoxycarbonylphenyl)benzoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    627176 PubChem
    ZINC000005586665 ZINC
    MCULE-4723874438 Mcule
    The data in this table is sourced from UniChem at EBI.