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2-Methoxycarbonyl-8-thiabicyclo[3.2.1]octan-3-one
SpectraBase Compound ID 2EQ3UJDXjBA
InChI InChI=1S/C9H12O3S/c1-12-9(11)8-6(10)4-5-2-3-7(8)13-5/h5,7-8H,2-4H2,1H3/t5-,7+,8?/m0/s1
InChIKey YYLJGDDNRUQVSS-LSBSRIOGSA-N
Mol Weight 200.25 g/mol
Molecular Formula C9H12O3S
Exact Mass 200.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEupnLSDdQ6
Name 2-Methoxycarbonyl-8-thiabicyclo[3.2.1]octan-3-one
Alternate Name(s) 2-(Methoxycarbonyl)-8-thiabicyclo[3.2.1]octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3S
InChI InChI=1S/C9H12O3S/c1-12-9(11)8-6(10)4-5-2-3-7(8)13-5/h5,7-8H,2-4H2,1H3/t5-,7+,8?/m0/s1
InChIKey YYLJGDDNRUQVSS-LSBSRIOGSA-N
Molecular Weight 200.252 g/mol
SMILES C1(C(C[C@]2(S[C@@]1(CC2)[H])[H])=O)C(=O)OC
SPLASH splash10-0gb9-0940000000-8475e9c23a66f72615b2
Source of Spectrum I-79-1796-6
Wiley ID 813017