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1,2,5-tris(t-Butyl)-5,5-dimethylspiro[2.4]hept-1-en-4-one

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

1,2,5-tris(t-Butyl)-5,5-dimethylspiro[2.4]hept-1-en-4-one
SpectraBase Compound ID JmqCrXovDaF
InChI InChI=1S/C21H36O/c1-17(2,3)13-12-20(10,11)21(16(13)22)14(18(4,5)6)15(21)19(7,8)9/h13H,12H2,1-11H3
InChIKey ASGFXNOTOGJIBV-UHFFFAOYSA-N
Mol Weight 304.5 g/mol
Molecular Formula C21H36O
Exact Mass 304.276616 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6d2nxC7g23P
Name 1,2,5-Tris(T-butyl)-5,5-dimethylspiro[2.4]hept-1-en-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.276615778 u
Formula C21H36O
InChI InChI=1S/C21H36O/c1-17(2,3)13-12-20(10,11)21(16(13)22)14(18(4,5)6)15(21)19(7,8)9/h13H,12H2,1-11H3
InChIKey ASGFXNOTOGJIBV-UHFFFAOYSA-N
Molecular Weight 304.518 g/mol
SMILES C12(C(C(C)(C)C)=C2C(C)(C)C)C(C(C(C)(C)C)CC1(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91507