Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C22H18O4/c1-13-11-20(16-5-9-18(10-6-16)22(25)26)14(2)12-19(13)15-3-7-17(8-4-15)21(23)24/h3-12H,1-2H3,(H,23,24)(H,25,26)
SMILES	OC(=O)c1ccc(cc1)c1cc(C)c(cc1C)c1ccc(cc1)C(=O)O
InChI Key	JZDSTRMMQZSYFF-UHFFFAOYSA-N
Molecular Formula	C22H18O4
Exact Mass	346.376 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/JZDSTRMMQZSYFF-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/JZDSTRMMQZSYFF-UHFFFAOYSA-N/CHMO0000593
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:25:38.488077
MetadataModified	2024-09-07T18:19:19.338875
MetadataPublished	2020-08-05
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.134.389E	Nikkaji
102307057	PubChem
CAHNEH	CCDC
CB73959740	ChemicalBook
SCHEMBL16749653	SureChEMBL
The data in this table is sourced from UniChem at EBI.