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5-Chloro-1,2-dihydroxy-3,4-[O,O-isopropylidene]-cyclohex-5-ene
SpectraBase Compound ID 8UDoj3koqww
InChI InChI=1S/C9H13ClO4/c1-9(2)13-7-4(10)3-5(11)6(12)8(7)14-9/h3,5-8,11-12H,1-2H3/t5-,6-,7-,8+/m1/s1
InChIKey UNYCHRHVRDRTOI-XUTVFYLZSA-N
Mol Weight 220.65 g/mol
Molecular Formula C9H13ClO4
Exact Mass 220.050237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6K7iIrRafhA
Name 5-Chloro-1,2-dihydroxy-3,4-[O,O-isopropylidene]-cyclohex-5-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13ClO4
InChI InChI=1S/C9H13ClO4/c1-9(2)13-7-4(10)3-5(11)6(12)8(7)14-9/h3,5-8,11-12H,1-2H3/t5-,6-,7-,8+/m1/s1
InChIKey UNYCHRHVRDRTOI-XUTVFYLZSA-N
Molecular Weight 220.652 g/mol
SMILES O[C@]1([C@]2([C@@](C(=C[C@]1(O)[H])Cl)(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-0udi-0920000000-8da82b75d85cd00790d6
Source of Spectrum C3-23-554-8
Synonyms (3aS,4R,5R,7aS)-7-chloranyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol (3aS,4R,5R,7aS)-7-chloro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
Wiley ID 879723