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7-Thiabicyclo[2.2.1]heptan-3-yl acetate
SpectraBase Compound ID GtUvK091p9j
InChI InChI=1S/C8H12O2S/c1-5(9)10-7-4-6-2-3-8(7)11-6/h6-8H,2-4H2,1H3/t6-,7+,8+/m1/s1
InChIKey SPKWMBMVEWOEAR-CSMHCCOUSA-N
Mol Weight 172.24 g/mol
Molecular Formula C8H12O2S
Exact Mass 172.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KP8DG68tY0
Name 7-Thiabicyclo[2.2.1]heptan-3-yl acetate
CAS Registry Number 55830-08-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2S
InChI InChI=1S/C8H12O2S/c1-5(9)10-7-4-6-2-3-8(7)11-6/h6-8H,2-4H2,1H3/t6-,7+,8+/m1/s1
InChIKey SPKWMBMVEWOEAR-CSMHCCOUSA-N
Molecular Weight 172.242 g/mol
SMILES [C@@]12(S[C@@](C[C@@]2(OC(=O)C)[H])(CC1)[H])[H]
SPLASH splash10-002r-9700000000-5b02aaeda04368ad09bc
Source of Spectrum C-97-2891-0
Synonyms 7-Thiabicyclo[2.2.1]heptan-3-yl ethanoate Acetic acid 7-thiabicyclo[2.2.1]heptan-3-yl ester
Wiley ID 1168390