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2H-Pyran-2-carboxylic acid, 5-bromotetrahydro-6-methoxy-, methyl ester, (2.alpha.,5.alpha.,6.beta.)-(.+-.)-
SpectraBase Compound ID K7xiX0jcLlr
InChI InChI=1S/C8H13BrO4/c1-11-7(10)6-4-3-5(9)8(12-2)13-6/h5-6,8H,3-4H2,1-2H3/t5-,6-,8-/m0/s1
InChIKey JVIORNBUZHEYIJ-HAFWLYHUSA-N
Mol Weight 253.09 g/mol
Molecular Formula C8H13BrO4
Exact Mass 251.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A56IfYHIuzq
Name 2H-Pyran-2-carboxylic acid, 5-bromotetrahydro-6-methoxy-, methyl ester, (2.alpha.,5.alpha.,6.beta.)-(.+-.)-
Alternate Name(s) Methyl (2S,5S,6S)-5-bromo-6-methoxytetrahydro-2H-pyran-2-carboxylate Methyl 5(a)-bromo-6(a)-methoxytetrahydropyran-2(E)-carboxylate
CAS Registry Number 131287-16-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13BrO4
InChI InChI=1S/C8H13BrO4/c1-11-7(10)6-4-3-5(9)8(12-2)13-6/h5-6,8H,3-4H2,1-2H3/t5-,6-,8-/m0/s1
InChIKey JVIORNBUZHEYIJ-HAFWLYHUSA-N
Molecular Weight 253.092 g/mol
SMILES [C@]1(O[C@@](CC[C@@]1(Br)[H])(C(=O)OC)[H])(OC)[H]
SPLASH splash10-03di-0940000000-c1d798b9affa26522b2d
Source of Spectrum F-46-4214-7
Wiley ID 1254929