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2H-Pyran-2,4-diol, 3-bromotetrahydro-6-phenyl-6-(trifluoromethyl)-, diacetate, (2.alpha.,3.beta.,4.beta.,6.beta.)-(.+-.)-
SpectraBase Compound ID BNlLdqVw4Eb
InChI InChI=1S/C16H16BrF3O5/c1-9(21)23-12-8-15(16(18,19)20,11-6-4-3-5-7-11)25-14(13(12)17)24-10(2)22/h3-7,12-14H,8H2,1-2H3/t12-,13-,14-,15-/m0/s1
InChIKey KFYCBGGNBWBEGQ-AJNGGQMLSA-N
Mol Weight 425.2 g/mol
Molecular Formula C16H16BrF3O5
Exact Mass 424.013321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qCLLixwfGX
Name 2H-Pyran-2,4-diol, 3-bromotetrahydro-6-phenyl-6-(trifluoromethyl)-, diacetate, (2.alpha.,3.beta.,4.beta.,6.beta.)-(.+-.)-
CAS Registry Number 130184-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16BrF3O5
InChI InChI=1S/C16H16BrF3O5/c1-9(21)23-12-8-15(16(18,19)20,11-6-4-3-5-7-11)25-14(13(12)17)24-10(2)22/h3-7,12-14H,8H2,1-2H3/t12-,13-,14-,15-/m0/s1
InChIKey KFYCBGGNBWBEGQ-AJNGGQMLSA-N
Molecular Weight 425.198 g/mol
SMILES [C@@]1(O[C@](OC(=O)C)([C@]([C@](C1)(OC(=O)C)[H])(Br)[H])[H])(C(F)(F)F)c1ccccc1
SPLASH splash10-052b-0910000000-64c1a31fdfc5069b4fa4
Source of Spectrum KC-1990-626-0
Synonyms (2SR,3RS,4RS,6SR)-2,4-diacetoxy-3-bromo-6-phenyl-6-(tri-fluoromethyl)tetrahydropyran (5S)-1,3-di-O-acetyl-2-bromo-2,4-dideoxy-5-phenyl-5-(trifluoromethyl)-.beta.-L-erythro-pentopyranose
Wiley ID 1379076