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(3-bromanyl-1-phenylmethoxy-butan-2-yl) benzenesulfonate
SpectraBase Compound ID DTrq2zvtWKq
InChI InChI=1S/C17H19BrO4S/c1-14(18)17(13-21-12-15-8-4-2-5-9-15)22-23(19,20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChIKey GAYBHDFIHXBMOR-UHFFFAOYSA-N
Mol Weight 399.3 g/mol
Molecular Formula C17H19BrO4S
Exact Mass 398.018743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DfUEjDqOud
Name (3-bromanyl-1-phenylmethoxy-butan-2-yl) benzenesulfonate
Alternate Name(s) (3-bromo-1-phenylmethoxybutan-2-yl) benzenesulfonate benzenesulfonic acid (3-bromo-1-phenylmethoxybutan-2-yl) ester [1-(benzyloxymethyl)-2-bromo-propyl] benzenesulfonate
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Formula C17H19BrO4S
InChI InChI=1S/C17H19BrO4S/c1-14(18)17(13-21-12-15-8-4-2-5-9-15)22-23(19,20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChIKey GAYBHDFIHXBMOR-UHFFFAOYSA-N
Molecular Weight 399.299 g/mol
SMILES c1(ccccc1)S(=O)(=O)OC(C(C)Br)COCc1ccccc1
SPLASH splash10-0a4i-3900000000-2c3153df53eb6bbb4b3f
Source of Spectrum U1-2002-2752-26
Wiley ID 1522985