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8-Tert-butylspiro[4.5]decane-1,4-dione

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

8-Tert-butylspiro[4.5]decane-1,4-dione
SpectraBase Compound ID 83wIqGv50ix
InChI InChI=1S/C14H22O2/c1-13(2,3)10-6-8-14(9-7-10)11(15)4-5-12(14)16/h10H,4-9H2,1-3H3
InChIKey SGDUBGMJRIJPDQ-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2OVnbNOEZml
Name 8-Tert-butylspiro[4.5]decane-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.161979946 u
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-13(2,3)10-6-8-14(9-7-10)11(15)4-5-12(14)16/h10H,4-9H2,1-3H3
InChIKey SGDUBGMJRIJPDQ-UHFFFAOYSA-N
Molecular Weight 222.328 g/mol
SMILES C12(C(CCC2=O)=O)CCC(C(C)(C)C)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933433