Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C29H20O4/c30-17-21-1-9-25(10-2-21)29(26-11-3-22(18-31)4-12-26,27-13-5-23(19-32)6-14-27)28-15-7-24(20-33)8-16-28/h1-20H
SMILES O=Cc1ccc(cc1)C(c1ccc(cc1)C=O)(c1ccc(cc1)C=O)c1ccc(cc1)C=O
InChI Key NKFUMXIARBFRPH-UHFFFAOYSA-N
Molecular Formula C29H20O4
Exact Mass 432.467 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NKFUMXIARBFRPH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NKFUMXIARBFRPH-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:16:48.500856
MetadataModified 2024-09-07T15:22:25.278332
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J1.931.488J Nikkaji
ZAFWEM CCDC
12982199 PubChem
CB53152790 ChemicalBook
SCHEMBL19218156 SureChEMBL
ZINC000055169510 ZINC
DTXSID90514328 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.