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Methyl (S)-3-(2-bromo-3-hydroxyphenyl)-3-hydroxy-2,2-dimethylpropanoate
SpectraBase Compound ID 3YSTMhZ5TiT
InChI InChI=1S/C12H15BrO4/c1-12(2,11(16)17-3)10(15)7-5-4-6-8(14)9(7)13/h4-6,10,14-15H,1-3H3/t10-/m1/s1
InChIKey WPCPYMDLHMWOMT-SNVBAGLBSA-N
Mol Weight 303.15 g/mol
Molecular Formula C12H15BrO4
Exact Mass 302.015372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UOonmDZoUb
Name Methyl (S)-3-(2-bromo-3-hydroxyphenyl)-3-hydroxy-2,2-dimethylpropanoate
Appearance White solid
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Formula C12H15BrO4
InChI InChI=1S/C12H15BrO4/c1-12(2,11(16)17-3)10(15)7-5-4-6-8(14)9(7)13/h4-6,10,14-15H,1-3H3/t10-/m1/s1
InChIKey WPCPYMDLHMWOMT-SNVBAGLBSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804987
Molecular Weight 303.152 g/mol
Optical Rotation [a]D20 = -29.2 (c = 0.64, CHCl3)
Reported Formula C12H15BrO4
SMILES Oc1c(c([C@](C(C(OC)=O)(C)C)(O)[H])ccc1)Br
SPLASH splash10-0udi-4900000000-c1234ad5c66c0be98917
Sample Comments >99% ee
Source of Spectrum QE-25-SM9-23
Wiley ID 1845962