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5-Methyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide

View entire compound with spectra: 1 FTIR

5-Methyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
SpectraBase Compound ID Ko9J6zVph8l
InChI InChI=1S/C6H10O3S/c1-6-4-10(7)3-5(9-6)2-8-6/h5H,2-4H2,1H3/t5-,6-,10?/m0/s1
InChIKey UDACWWYDFFSTMP-XBGLIEATSA-N
Mol Weight 162.2 g/mol
Molecular Formula C6H10O3S
Exact Mass 162.035065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IuAAzS7dQc3
Name 5-Methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane 3-oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 162.035065353 u
Formula C6H10O3S
InChI InChI=1S/C6H10O3S/c1-6-4-10(7)3-5(9-6)2-8-6/h5H,2-4H2,1H3/t5-,6-,10?/m0/s1
InChIKey UDACWWYDFFSTMP-XBGLIEATSA-N
Molecular Weight 162.203 g/mol
SMILES C1S(C[C@@]2(O[C@]1(CO2)[H])C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985321