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(1S,4R,5S)-4,7,7-Trimethyl-6-thia-1,5-bicyclo[3.2.1]octan-3-one

View entire compound with spectra: 1 MS (GC)

(1S,4R,5S)-4,7,7-Trimethyl-6-thia-1,5-bicyclo[3.2.1]octan-3-one
SpectraBase Compound ID Bua27uwkYhb
InChI InChI=1S/C10H16OS/c1-6-8(11)4-7-5-9(6)12-10(7,2)3/h6-7,9H,4-5H2,1-3H3/t6-,7+,9+/m1/s1
InChIKey ALOVQPMDMANUJI-FJXKBIBVSA-N
Mol Weight 184.3 g/mol
Molecular Formula C10H16OS
Exact Mass 184.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bnrLbCmwTn
Name (1S,4R,5S)-4,7,7-Trimethyl-6-thia-1,5-bicyclo[3.2.1]octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16OS
InChI InChI=1S/C10H16OS/c1-6-8(11)4-7-5-9(6)12-10(7,2)3/h6-7,9H,4-5H2,1-3H3/t6-,7+,9+/m1/s1
InChIKey ALOVQPMDMANUJI-FJXKBIBVSA-N
Molecular Weight 184.297 g/mol
SMILES [C@@]12(SC([C@](CC([C@]2(C)[H])=O)([H])C1)(C)C)[H]
SPLASH splash10-03di-0900000000-f8348d95de021798126f
Source of Spectrum J-58-6108-13
Synonyms (1S,4R,5S)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octan-3-one
Wiley ID 1180513