Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H13NO/c18-16(10-12-6-2-1-3-7-12)14-11-17-15-9-5-4-8-13(14)15/h1-9,11,17H,10H2
SMILES O=C(c1c[nH]c2c1cccc2)Cc1ccccc1
InChI Key MVJGJYRFWKGPTI-UHFFFAOYSA-N
Molecular Formula C16H13NO
Exact Mass 235.281 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MVJGJYRFWKGPTI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/MVJGJYRFWKGPTI-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:46:59.880810
MetadataModified 2024-09-07T14:39:18.379279
MetadataPublished 2019-01-30
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB62733111 ChemicalBook
DTXSID20295754 EPA CompTox Dashboard
ZINC000001686261 ZINC
J2.432.476A Nikkaji
40281-54-7 ACToR
266609 PubChem
24755253 PubChem: Thomson Pharma
SCHEMBL15902100 SureChEMBL
The data in this table is sourced from UniChem at EBI.