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Bicyclo[3.3.1]nonylidenebicyclo[3.3.1]nonanethiirane 1-oxide

View entire compound with spectra: 1 FTIR

Bicyclo[3.3.1]nonylidenebicyclo[3.3.1]nonanethiirane 1-oxide
SpectraBase Compound ID 7WwVGROVqy1
InChI InChI=1S/C18H28OS/c19-20-17(13-5-1-6-14(17)8-2-7-13)18(20)15-9-3-10-16(18)12-4-11-15/h13-16H,1-12H2/t13-,14+,15-,16+,17-,18-
InChIKey GEZINKHJPNBEDK-TYTBLDAYSA-N
Mol Weight 292.48 g/mol
Molecular Formula C18H28OS
Exact Mass 292.186087 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6oQr6Zxna7x
Name Bicyclo[3.3.1]nonylidenebicyclo[3.3.1]nonanethiirane 1-oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.186086695 u
Formula C18H28OS
InChI InChI=1S/C18H28OS/c19-20-17(13-5-1-6-14(17)8-2-7-13)18(20)15-9-3-10-16(18)12-4-11-15/h13-16H,1-12H2/t13-,14+,15-,16+,17-,18-
InChIKey GEZINKHJPNBEDK-TYTBLDAYSA-N
SMILES C12(S(C22[C@]3(CCC[C@@]2(CCC3)[H])[H])=O)[C@]2(CCC[C@@]1(CCC2)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929931