Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H15NO4/c1-20-13(21-2)9-17-15(18)11-7-3-5-10-6-4-8-12(14(10)11)16(17)19/h3-8,13H,9H2,1-2H3
SMILES COC(CN1C(=O)c2cccc3c2c(C1=O)ccc3)OC
InChI Key IPQNHLBUWYQHDL-UHFFFAOYSA-N
Molecular Formula C16H15NO4
Exact Mass 285.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IPQNHLBUWYQHDL-UHFFFAOYSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/IPQNHLBUWYQHDL-UHFFFAOYSA-N/CHMO0000763
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:27:07.206095
MetadataModified 2024-09-07T19:39:17.761186
MetadataPublished 2021-04-28
Field Value
Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1986485 ChEMBL
2451092 eMolecules
357360 PubChem
ZINC000004280218 ZINC
MCULE-7795850388 Mcule
The data in this table is sourced from UniChem at EBI.