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1-Isopropyl-4-methylcyclohex-4-yl thioacetate

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

1-Isopropyl-4-methylcyclohex-4-yl thioacetate
SpectraBase Compound ID DSAqeMvYQcp
InChI InChI=1S/C12H22OS/c1-9(2)11-5-7-12(4,8-6-11)13-10(3)14/h9,11H,5-8H2,1-4H3
InChIKey CDDBMFQWKBAAGJ-UHFFFAOYSA-N
Mol Weight 214.37 g/mol
Molecular Formula C12H22OS
Exact Mass 214.139137 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EnoaUoXdvuI
Name 1-Isopropyl-4-methylcyclohex-4-yl thioacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.139136501 u
Formula C12H22OS
InChI InChI=1S/C12H22OS/c1-9(2)11-5-7-12(4,8-6-11)13-10(3)14/h9,11H,5-8H2,1-4H3
InChIKey CDDBMFQWKBAAGJ-UHFFFAOYSA-N
Molecular Weight 214.367 g/mol
SMILES C(=S)(OC1(CCC(CC1)C(C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866197