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(S)-(6,6-Dimethyl-2-hydroxy-4-heptynyl) tosylate
SpectraBase Compound ID BnvOHIVb063
InChI InChI=1S/C16H22O4S/c1-13-7-9-15(10-8-13)21(18,19)20-12-14(17)6-5-11-16(2,3)4/h7-10,14,17H,6,12H2,1-4H3/t14-/m0/s1
InChIKey CEPMAYOBUZOPCE-AWEZNQCLSA-N
Mol Weight 310.41 g/mol
Molecular Formula C16H22O4S
Exact Mass 310.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bgs1OgKvBR
Name (S)-(6,6-Dimethyl-2-hydroxy-4-heptynyl) tosylate
Alternate Name(s) (2S)-2-hydroxy-6,6-dimethyl-4-heptynyl 4-methylbenzenesulfonate
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Formula C16H22O4S
InChI InChI=1S/C16H22O4S/c1-13-7-9-15(10-8-13)21(18,19)20-12-14(17)6-5-11-16(2,3)4/h7-10,14,17H,6,12H2,1-4H3/t14-/m0/s1
InChIKey CEPMAYOBUZOPCE-AWEZNQCLSA-N
Molecular Weight 310.408 g/mol
SMILES O[C@@](CC#CC(C)(C)C)(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0006-9200000000-ad6af88be5f9f3a404fb
Source of Spectrum QE-2-550-11
Wiley ID 842686