Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C25H26/c1-17-14-18(2)25(19(3)15-17)24-16-22-9-8-20-4-6-21(7-5-20)10-12-23(24)13-11-22/h4-7,11,13-16H,8-10,12H2,1-3H3
SMILES	Cc1cc(C)c(c(c1)C)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key	OTIFGUKLKCKZPR-UHFFFAOYSA-N
Molecular Formula	C25H26
Exact Mass	326.474 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/OTIFGUKLKCKZPR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OTIFGUKLKCKZPR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Daniel Knoll
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:17:42.978855
MetadataModified	2024-09-07T18:08:24.239442
MetadataPublished	2020-05-21

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
13617634	PubChem
CAHHID	CCDC
J1.043.514E	Nikkaji
The data in this table is sourced from UniChem at EBI.