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cis-(1S,2R)-1,2-Dihydroxy-3-propyl-4-fluorocyclohexa-3,5-diene
SpectraBase Compound ID 1UMl7eucyxB
InChI InChI=1S/C9H13FO2/c1-2-3-6-7(10)4-5-8(11)9(6)12/h4-5,8-9,11-12H,2-3H2,1H3/t8-,9+/m0/s1
InChIKey XYLSOAWWJMCKFB-DTWKUNHWSA-N
Mol Weight 172.2 g/mol
Molecular Formula C9H13FO2
Exact Mass 172.089958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUx6IalDocw
Name cis-(1S,2R)-1,2-Dihydroxy-3-propyl-4-fluorocyclohexa-3,5-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13FO2
InChI InChI=1S/C9H13FO2/c1-2-3-6-7(10)4-5-8(11)9(6)12/h4-5,8-9,11-12H,2-3H2,1H3/t8-,9+/m0/s1
InChIKey XYLSOAWWJMCKFB-DTWKUNHWSA-N
Molecular Weight 172.199 g/mol
SMILES O[C@@]1(C(=C(C=C[C@@]1(O)[H])F)CCC)[H]
SPLASH splash10-0092-6900000000-30532d1f7e48a4c0ba43
Source of Spectrum F5-4-3347-14B
Synonyms (1S,2R)-4-fluoro-3-propylcyclohexa-3,5-diene-1,2-diol (1S,2R)-4-fluoranyl-3-propyl-cyclohexa-3,5-diene-1,2-diol
Wiley ID 1732965