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(4-methyl-4-phenylselanyl-pentan-2-yl) benzenesulfonate
SpectraBase Compound ID AfbLlezcVxA
InChI InChI=1S/C18H22O3SSe/c1-15(21-22(19,20)16-10-6-4-7-11-16)14-18(2,3)23-17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3
InChIKey NZFHQLXOWRAUIR-UHFFFAOYSA-N
Mol Weight 397.4 g/mol
Molecular Formula C18H22O3SSe
Exact Mass 398.045488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXAJ7qTpLKT
Name (4-methyl-4-phenylselanyl-pentan-2-yl) benzenesulfonate
Alternate Name(s) benzenesulfonic acid [4-methyl-4-(phenylseleno)pentan-2-yl] ester (4-methyl-4-phenylselanylpentan-2-yl) benzenesulfonate (1,3-dimethyl-3-phenylselanyl-butyl) benzenesulfonate
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Formula C18H22O3SSe
InChI InChI=1S/C18H22O3SSe/c1-15(21-22(19,20)16-10-6-4-7-11-16)14-18(2,3)23-17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3
InChIKey NZFHQLXOWRAUIR-UHFFFAOYSA-N
Molecular Weight 397.403 g/mol
SMILES c1(ccccc1)S(=O)(OC(CC(C)(C)[Se]c1ccccc1)C)=O
SPLASH splash10-001i-9220000000-4a0f9ad7de008bc43ccf
Source of Spectrum U1-2002-2751-11
Wiley ID 1522990