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[(2R)-7-bromo-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate
SpectraBase Compound ID E9BrtvN9xI
InChI InChI=1S/C16H15BrO5S/c1-11-2-5-14(6-3-11)23(18,19)21-10-13-9-20-15-7-4-12(17)8-16(15)22-13/h2-8,13H,9-10H2,1H3/t13-/m1/s1
InChIKey MGWMTIHSOZLVQJ-CYBMUJFWSA-N
Mol Weight 399.26 g/mol
Molecular Formula C16H15BrO5S
Exact Mass 397.982358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFfMHQScjpy
Name [(2R)-7-bromo-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15BrO5S
InChI InChI=1S/C16H15BrO5S/c1-11-2-5-14(6-3-11)23(18,19)21-10-13-9-20-15-7-4-12(17)8-16(15)22-13/h2-8,13H,9-10H2,1H3/t13-/m1/s1
InChIKey MGWMTIHSOZLVQJ-CYBMUJFWSA-N
Ionization Type EI
Molecular Weight 399.255 g/mol
SMILES c12OC[C@](COS(c3ccc(C)cc3)(=O)=O)(Oc1cc(Br)cc2)[H]
SPLASH splash10-004l-8093300000-262d8a4e09dbd0544ece
Source of Spectrum US20110105462A1
Wiley ID 1844344