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8-Methyl-7-thiabicyclo[4.2.1]nonane

View entire compound with spectra: 1 FTIR

8-Methyl-7-thiabicyclo[4.2.1]nonane
SpectraBase Compound ID JxicnY7BMVj
InChI InChI=1S/C9H16S/c1-7-8-4-2-3-5-9(6-8)10-7/h7-9H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKey DOUCCEOSJSXHQZ-IWSPIJDZSA-N
Mol Weight 156.29 g/mol
Molecular Formula C9H16S
Exact Mass 156.097272 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L4i99fo4QMe
Name 8-Methyl-7-thiabicyclo[4.2.1]nonane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 156.097271689 u
Formula C9H16S
InChI InChI=1S/C9H16S/c1-7-8-4-2-3-5-9(6-8)10-7/h7-9H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKey DOUCCEOSJSXHQZ-IWSPIJDZSA-N
Molecular Weight 156.287 g/mol
SMILES [C@]12(C[C@@](CCCC2)(S[C@@]1(C)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846792