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4,5-Dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]oct-2-yl acetate
SpectraBase Compound ID EGFVxwBngw4
InChI InChI=1S/C9H14O4S/c1-5-9(3)11-4-7(13-9)8(14-5)12-6(2)10/h5,7-8H,4H2,1-3H3/t5?,7-,8+,9-/m0/s1
InChIKey AELZERYTNHZVJH-WUUUWMPYSA-N
Mol Weight 218.27 g/mol
Molecular Formula C9H14O4S
Exact Mass 218.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDf3ejOy0yf
Name 4,5-Dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]oct-2-yl acetate
CAS Registry Number 69697-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4S
InChI InChI=1S/C9H14O4S/c1-5-9(3)11-4-7(13-9)8(14-5)12-6(2)10/h5,7-8H,4H2,1-3H3/t5?,7-,8+,9-/m0/s1
InChIKey AELZERYTNHZVJH-WUUUWMPYSA-N
Molecular Weight 218.267 g/mol
SMILES [C@@]1(SC([C@@]2(O[C@]1(CO2)[H])C)C)(OC(C)=O)[H]
SPLASH splash10-0006-9400000000-488ea27f46bec49e5377
Source of Spectrum O-13-442-11
Synonyms (4,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octan-2-yl) acetate (4,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octan-2-yl) ethanoate 2.beta.-Acetoxy-4.beta.,5-dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane Acetic acid (4,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octan-2-yl) ester
Wiley ID 1217065