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7,9-Dimethyl-1,4-dioxa-7,9-diazacycloundecane-8-thione

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

7,9-Dimethyl-1,4-dioxa-7,9-diazacycloundecane-8-thione
SpectraBase Compound ID AJjzgywkrY5
InChI InChI=1S/C9H18N2O2S/c1-10-3-5-12-7-8-13-6-4-11(2)9(10)14/h3-8H2,1-2H3
InChIKey GSAQHDMGOVWHJJ-UHFFFAOYSA-N
Mol Weight 218.31 g/mol
Molecular Formula C9H18N2O2S
Exact Mass 218.108899 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8XipMSfVjEN
Name 7,9-Dimethyl-1,4-dioxa-7,9-diazacycloundecane-8-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.108899000 u
Formula C9H18N2O2S
InChI InChI=1S/C9H18N2O2S/c1-10-3-5-12-7-8-13-6-4-11(2)9(10)14/h3-8H2,1-2H3
InChIKey GSAQHDMGOVWHJJ-UHFFFAOYSA-N
Molecular Weight 218.315 g/mol
SMILES C1COCCN(C(N(CCO1)C)=S)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983194