Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C21H16O2/c1-14-11-16-9-5-6-10-18(16)19-13-17(21(22)23-20(14)19)12-15-7-3-2-4-8-15/h2-11,13H,12H2,1H3
SMILES	O=c1oc2c(C)cc3c(c2cc1Cc1ccccc1)cccc3
InChI Key	SZCWYLRCNQRDPX-UHFFFAOYSA-N
Molecular Formula	C21H16O2
Exact Mass	300.351 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SZCWYLRCNQRDPX-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/SZCWYLRCNQRDPX-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:09:23.483050
MetadataModified	2024-09-07T15:11:24.556760
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453427	PubChem
The data in this table is sourced from UniChem at EBI.