Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C36H30O4/c1-21-19-33(27-9-13-29(14-10-27)35(37)38)23(3)17-31(21)25-5-7-26(8-6-25)32-18-24(4)34(20-22(32)2)28-11-15-30(16-12-28)36(39)40/h5-20H,1-4H3,(H,37,38)(H,39,40)
SMILES	OC(=O)c1ccc(cc1)c1cc(C)c(cc1C)c1ccc(cc1)c1cc(C)c(cc1C)c1ccc(cc1)C(=O)O
InChI Key	JNIKOZFXDUMLDX-UHFFFAOYSA-N
Molecular Formula	C36H30O4
Exact Mass	526.621 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JNIKOZFXDUMLDX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JNIKOZFXDUMLDX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:54:14.037773
MetadataModified	2024-09-07T18:56:47.719573
MetadataPublished	2020-10-22
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
154723618	PubChem
The data in this table is sourced from UniChem at EBI.