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2-(benzenesulfinyl)-1-cyclotridecanone
SpectraBase Compound ID C03hxGdXmu1
InChI InChI=1S/C19H28O2S/c20-18-15-11-6-4-2-1-3-5-7-12-16-19(18)22(21)17-13-9-8-10-14-17/h8-10,13-14,19H,1-7,11-12,15-16H2
InChIKey ZIBDXKNTTMMQSX-UHFFFAOYSA-N
Mol Weight 320.49 g/mol
Molecular Formula C19H28O2S
Exact Mass 320.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8d7ve7QKiDH
Name 2-(benzenesulfinyl)-1-cyclotridecanone
Alternate Name(s) 2-(benzenesulfinyl)cyclotridecan-1-one 2-(Benzenesulfinyl)cyclotridecanone 2-(Phenylsulfinyl)cyclotridecan-1-one
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Formula C19H28O2S
InChI InChI=1S/C19H28O2S/c20-18-15-11-6-4-2-1-3-5-7-12-16-19(18)22(21)17-13-9-8-10-14-17/h8-10,13-14,19H,1-7,11-12,15-16H2
InChIKey ZIBDXKNTTMMQSX-UHFFFAOYSA-N
Molecular Weight 320.491 g/mol
SMILES C1(S(=O)c2ccccc2)C(=O)CCCCCCCCCCC1
SPLASH splash10-0a4j-9500000000-14e07e07a55c1a124f3e
Source of Spectrum AJ-67-1416-22
Wiley ID 772653