Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H16N2O8/c1-27-17(21)13-7-5-11(15(9-13)19(23)24)3-4-12-6-8-14(18(22)28-2)10-16(12)20(25)26/h5-10H,3-4H2,1-2H3
SMILES COC(=O)c1ccc(c(c1)[N+](=O)[O-])CCc1ccc(cc1[N+](=O)[O-])C(=O)OC
InChI Key IYDNQACOZQKGOC-UHFFFAOYSA-N
Molecular Formula C18H16N2O8
Exact Mass 388.328 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IYDNQACOZQKGOC-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/IYDNQACOZQKGOC-UHFFFAOYSA-N/CHMO0000630
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-06-15
Related Molecule
  • methyl 4-[2-(4-methoxycarbonyl-2-nitrophenyl)ethyl]-3-nitrobenzoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146170774 PubChem
    The data in this table is sourced from UniChem at EBI.