Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C25H22O/c26-25-23-4-2-1-3-19(23)15-16-22-20-11-9-17-5-7-18(8-6-17)10-12-21(14-13-20)24(22)25/h1-8,13-14H,9-12,15-16H2
SMILES O=C1c2c3CCc4ccc(CCc(c2CCc2c1cccc2)cc3)cc4
InChI Key IDTBYMIQPLRBEI-UHFFFAOYSA-N
Molecular Formula C25H22O
Exact Mass 338.442 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDTBYMIQPLRBEI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IDTBYMIQPLRBEI-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:14:35.710508
MetadataModified 2024-09-07T15:19:07.947873
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453490 PubChem
The data in this table is sourced from UniChem at EBI.