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4,4-bis(1-adamantyl)-3-thiolanone
SpectraBase Compound ID FhBUEzVuTHH
InChI InChI=1S/C24H34OS/c25-21-13-26-14-24(21,22-7-15-1-16(8-22)3-17(2-15)9-22)23-10-18-4-19(11-23)6-20(5-18)12-23/h15-20H,1-14H2
InChIKey JETSOYUYSSHBEB-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C24H34OS
Exact Mass 370.233037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HufYZjxb9S
Name 4,4-bis(1-adamantyl)-3-thiolanone
Comments Less than 3 mono-isotopic peaks
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Formula C24H34OS
InChI InChI=1S/C24H34OS/c25-21-13-26-14-24(21,22-7-15-1-16(8-22)3-17(2-15)9-22)23-10-18-4-19(11-23)6-20(5-18)12-23/h15-20H,1-14H2
InChIKey JETSOYUYSSHBEB-UHFFFAOYSA-N
Molecular Weight 370.595 g/mol
SMILES C12(C3(C45CC6CC(C5)CC(C4)C6)C(=O)CSC3)CC3CC(C2)CC(C1)C3
SPLASH splash10-000i-0901000000-de8fa817d48bcca65066
Source of Spectrum J-63-4920-11
Synonyms 4,4-bis(1-adamantyl)tetrahydrothiophen-3-one 4,4-bis(1-adamantyl)thiolan-3-one
Wiley ID 1354643