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(+)-R-Methyl 2-(4-bromo-phenoxy)-2-methylbutanoate
SpectraBase Compound ID 5ZUiY5Dpw5W
InChI InChI=1S/C12H15BrO3/c1-4-12(2,11(14)15-3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3/t12-/m1/s1
InChIKey SCOSOKISOLAGPC-GFCCVEGCSA-N
Mol Weight 287.15 g/mol
Molecular Formula C12H15BrO3
Exact Mass 286.020457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G53mf5uP68b
Name (+)-R-Methyl 2-(4-bromo-phenoxy)-2-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15BrO3
InChI InChI=1S/C12H15BrO3/c1-4-12(2,11(14)15-3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3/t12-/m1/s1
InChIKey SCOSOKISOLAGPC-GFCCVEGCSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/jm9013899
Optical Rotation [a]D = +23 (c = 2, MeOH)
SMILES c1cc(ccc1Br)O[C@](C(OC)=O)(C)CC
SPLASH splash10-00di-0920000000-e022ae9e041d33b7d262
Source of Spectrum AF-53-SM2-SM2-2
Wiley ID 1846166