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5-Methyl-6,8-dioxa-3-thiabicyclo[3.2.1]oct-2-yl acetate
SpectraBase Compound ID Fqn0gal130o
InChI InChI=1S/C8H12O4S/c1-5(9)11-7-6-3-10-8(2,12-6)4-13-7/h6-7H,3-4H2,1-2H3/t6-,7+,8-/m0/s1
InChIKey KVAUWVZXYBUVDB-RNJXMRFFSA-N
Mol Weight 204.24 g/mol
Molecular Formula C8H12O4S
Exact Mass 204.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kyVALNLvlD
Name 5-Methyl-6,8-dioxa-3-thiabicyclo[3.2.1]oct-2-yl acetate
CAS Registry Number 69697-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4S
InChI InChI=1S/C8H12O4S/c1-5(9)11-7-6-3-10-8(2,12-6)4-13-7/h6-7H,3-4H2,1-2H3/t6-,7+,8-/m0/s1
InChIKey KVAUWVZXYBUVDB-RNJXMRFFSA-N
Molecular Weight 204.240 g/mol
SMILES [C@@]12(CO[C@@](O2)(CS[C@]1(OC(=O)C)[H])C)[H]
SPLASH splash10-0006-9300000000-1a67de507406ec9edff3
Source of Spectrum O-13-441-10
Synonyms (5-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octan-2-yl) acetate (5-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octan-2-yl) ethanoate 2.beta.-Acetoxy-5-methyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane Acetic acid (5-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octan-2-yl) ester
Wiley ID 1201278