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2-[3-(Phenylsulfonyl)propyl]cyclododecanone
SpectraBase Compound ID ImUzCD3cSSn
InChI InChI=1S/C21H32O3S/c22-21-17-11-6-4-2-1-3-5-8-13-19(21)14-12-18-25(23,24)20-15-9-7-10-16-20/h7,9-10,15-16,19H,1-6,8,11-14,17-18H2
InChIKey HZSVJNOZGIHPIZ-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O3S
Exact Mass 364.207216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIZY8Uqv6cD
Name 2-[3-(Phenylsulfonyl)propyl]cyclododecanone
Alternate Name(s) 2-(3-(phenylsulfonyl)propyl)cyclododecan-1-one
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Formula C21H32O3S
InChI InChI=1S/C21H32O3S/c22-21-17-11-6-4-2-1-3-5-8-13-19(21)14-12-18-25(23,24)20-15-9-7-10-16-20/h7,9-10,15-16,19H,1-6,8,11-14,17-18H2
InChIKey HZSVJNOZGIHPIZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19830660816
Molecular Weight 364.544 g/mol
SMILES C1CCC(C(CCCCCCC1)=O)CCCS(c1ccccc1)(=O)=O
SPLASH splash10-052f-9111000000-f174c3f80aaf95f482da
Source of Spectrum H-66-2517-18
Wiley ID 1794866