Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C48H29O4P/c49-53(50)51-47-43(41-25-29-13-1-5-17-33(29)37-21-9-11-23-39(37)41)27-31-15-3-7-19-35(31)45(47)46-36-20-8-4-16-32(36)28-44(48(46)52-53)42-26-30-14-2-6-18-34(30)38-22-10-12-24-40(38)42/h1-28H,(H,49,50)
SMILES OP1(=O)Oc2c(-c3c(O1)c(cc1c3cccc1)c1cc3ccccc3c3c1cccc3)c1ccccc1cc2c1cc2ccccc2c2c1cccc2
InChI Key BVICVEIKBNVROI-UHFFFAOYSA-N
Molecular Formula C48H29O4P
Exact Mass 700.715 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BVICVEIKBNVROI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/BVICVEIKBNVROI-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:13:52.814339
MetadataModified 2024-09-07T15:18:02.553478
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL4753115 SureChEMBL
16797589 PubChem: Thomson Pharma
27515137 eMolecules
CB62614269 ChemicalBook
CB02614267 ChemicalBook
J3.018.297I Nikkaji
ZINC000150353041 ZINC
J3.424.707B Nikkaji
DTXSID70470690 EPA CompTox Dashboard
J2.339.045K Nikkaji
J2.980.950J Nikkaji
J2.219.255H Nikkaji
11693293 PubChem
The data in this table is sourced from UniChem at EBI.