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exo-4-t-Butyltricyclo[5.2.1.0(2,6)]dec-4-en-3-one
SpectraBase Compound ID Cd6DRZevQgJ
InChI InChI=1S/C14H20O/c1-14(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)15/h7-10,12H,4-6H2,1-3H3
InChIKey KGEBVHMATDOBBO-UHFFFAOYSA-N
Mol Weight 204.31 g/mol
Molecular Formula C14H20O
Exact Mass 204.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hm8lGQzzEbC
Name exo-4-T-Butyltricyclo[5.2.1.0(2,6)]dec-4-en-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.151415263 u
Formula C14H20O
InChI InChI=1S/C14H20O/c1-14(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)15/h7-10,12H,4-6H2,1-3H3
InChIKey KGEBVHMATDOBBO-UHFFFAOYSA-N
Molecular Weight 204.313 g/mol
SMILES C=1(C(C2C3CCC(C2C1)C3)=O)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947589