Dataset

high-resolution mass spectrometry (HRMS)

Chemical Information

InChI	InChI=1S/C27H34O4/c1-6-7-8-9-14-27(2,3)21-17-24(30-5)23-16-20(26(28)31-25(23)18-21)15-19-10-12-22(29-4)13-11-19/h10-13,16-18H,6-9,14-15H2,1-5H3
SMILES	CCCCCCC(c1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccc(cc1)OC)(C)C
InChI Key	WMCPGNYQAAHCHT-UHFFFAOYSA-N
Exact Mass	422.556 g/mol

Data and Resources

• high-resolution mass spectrometry (HRMS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WMCPGNYQAAHCHT-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/WMCPGNYQAAHCHT-UHFFFAOYSA-N/CHMO0000498
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-04-28T13:08:00Z
Related Molecule

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.