Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H15NO6/c1-21-12-5-3-11(4-6-12)10-23-13-7-8-15(17(19)20)14(9-13)16(18)22-2/h3-9H,10H2,1-2H3
SMILES COc1ccc(cc1)COc1ccc(c(c1)C(=O)OC)[N+](=O)[O-]
InChI Key ZHGMVVIRGFSBIV-UHFFFAOYSA-N
Molecular Formula C16H15NO6
Exact Mass 317.293 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZHGMVVIRGFSBIV-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZHGMVVIRGFSBIV-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • methyl 5-[(4-methoxyphenyl)methoxy]-2-nitrobenzoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453607 PubChem
    The data in this table is sourced from UniChem at EBI.