Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C25H33FO/c1-24-12-10-19(27)15-17(24)6-7-20-22-9-8-21(16-4-3-5-18(26)14-16)25(22,2)13-11-23(20)24/h3-5,8,14,17,19-20,22-23,27H,6-7,9-13,15H2,1-2H3/t17-,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=C2c1cccc(c1)F)C)C
InChI Key	LNTJLDWWEWFUKW-ZVQSXTIDSA-N
Molecular Formula	C25H33FO
Exact Mass	368.527 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/LNTJLDWWEWFUKW-ZVQSXTIDSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LNTJLDWWEWFUKW-ZVQSXTIDSA-N/CHMO0000470
Version
Author	Vanessa Koch
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:48:22.652032
MetadataModified	2024-09-07T16:08:47.420671
MetadataPublished	2019-10-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
139291491	PubChem
The data in this table is sourced from UniChem at EBI.