Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
SMILES CCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2
InChI Key VCHHHSMPMLNVGS-UHFFFAOYSA-N
Molecular Formula C23H21NO
Exact Mass 327.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VCHHHSMPMLNVGS-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VCHHHSMPMLNVGS-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:26:01.111733
MetadataModified 2024-09-07T15:36:10.996405
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000038928174 ZINC
DTXSID20175042 EPA CompTox Dashboard
BBX3BP2772 FDA SRS
J2.856.750B Nikkaji
15495044 PubChem: Thomson Pharma
10471670 PubChem
PD016808 ProbesDrugs
181123 ChEBI
27345104 eMolecules
SCHEMBL11983320 SureChEMBL
HMDB0245597 Human Metabolome Database
CHEMBL2380416 ChEMBL
85804 BindingDB
EROCIY CCDC
The data in this table is sourced from UniChem at EBI.