Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C26H33F3O/c1-24-13-11-19(30)15-18(24)7-8-20-22-10-9-21(25(22,2)14-12-23(20)24)16-3-5-17(6-4-16)26(27,28)29/h3-6,9,18-20,22-23,30H,7-8,10-15H2,1-2H3/t18-,19-,20-,22-,23-,24-,25+/m0/s1
SMILES	O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2c1ccc(cc1)C(F)(F)F)C)C
InChI Key	WHFXIXLPUWGVBU-RVJJPSTCSA-N
Molecular Formula	C26H33F3O
Exact Mass	418.535 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/WHFXIXLPUWGVBU-RVJJPSTCSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WHFXIXLPUWGVBU-RVJJPSTCSA-N/CHMO0000470
Version
Author	Vanessa Koch
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:48:32.345619
MetadataModified	2024-09-07T16:08:54.508778
MetadataPublished	2019-10-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
139291492	PubChem
The data in this table is sourced from UniChem at EBI.