Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C28H30O4/c1-17(2)31-27(29)23-11-7-21(8-12-23)25-15-20(6)26(16-19(25)5)22-9-13-24(14-10-22)28(30)32-18(3)4/h7-18H,1-6H3
SMILES	CC(OC(=O)c1ccc(cc1)c1cc(C)c(cc1C)c1ccc(cc1)C(=O)OC(C)C)C
InChI Key	CFLDWDVCLODTOS-UHFFFAOYSA-N
Molecular Formula	C28H30O4
Exact Mass	430.535 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/CFLDWDVCLODTOS-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CFLDWDVCLODTOS-UHFFFAOYSA-N/CHMO0000470
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:28:44.911369
MetadataModified	2024-09-07T18:23:13.694356
MetadataPublished	2020-08-06

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146681762	PubChem
The data in this table is sourced from UniChem at EBI.