Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C15H13NO5/c1-20-15(17)13-9-12(7-8-14(13)16(18)19)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
SMILES COC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]
InChI Key NLCYTWWWIQTEDH-UHFFFAOYSA-N
Molecular Formula C15H13NO5
Exact Mass 287.267 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NLCYTWWWIQTEDH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NLCYTWWWIQTEDH-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:26:55.352908
MetadataModified 2024-09-07T15:37:31.054226
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000142656332 ZINC
MCULE-5324556506 Mcule
14177147 PubChem
SCHEMBL12763816 SureChEMBL
The data in this table is sourced from UniChem at EBI.