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2,2-Dimethyl-3-phenyl-1-propyl p-toluenesulfonate
SpectraBase Compound ID 2mrMPhVUvnf
InChI InChI=1S/C18H22O3S/c1-15-9-11-17(12-10-15)22(19,20)21-14-18(2,3)13-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3
InChIKey YQMBSVLWCAKALN-UHFFFAOYSA-N
Mol Weight 318.43 g/mol
Molecular Formula C18H22O3S
Exact Mass 318.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SXqy8qnUZk
Name 2,2-Dimethyl-3-phenyl-1-propyl p-toluenesulfonate
Alternate Name(s) 2,2-Dimethyl-3-phenylpropyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (2,2-dimethyl-3-phenylpropyl) ester (2,2-dimethyl-3-phenylpropyl) 4-methylbenzenesulfonate (2,2-dimethyl-3-phenyl-propyl) 4-methylbenzenesulfonate
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Formula C18H22O3S
InChI InChI=1S/C18H22O3S/c1-15-9-11-17(12-10-15)22(19,20)21-14-18(2,3)13-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3
InChIKey YQMBSVLWCAKALN-UHFFFAOYSA-N
Molecular Weight 318.431 g/mol
SMILES c1(S(OCC(Cc2ccccc2)(C)C)(=O)=O)ccc(cc1)C
SPLASH splash10-014i-4309000000-ca4134ef000c5aafa36f
Source of Spectrum F-68-3023-1
Wiley ID 1572271