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2,6-Dimethyl-7-tert-butoxybicyclo[4.3.0]non-1-en-3-one

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

2,6-Dimethyl-7-tert-butoxybicyclo[4.3.0]non-1-en-3-one
SpectraBase Compound ID 51E8xDznnzm
InChI InChI=1S/C15H24O2/c1-10-11-6-7-13(17-14(2,3)4)15(11,5)9-8-12(10)16/h13H,6-9H2,1-5H3
InChIKey MPNGJIVZTSIMSD-UHFFFAOYSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EDwqvKfhFn
Name 2,6-Dimethyl-7-tert-butoxybicyclo[4.3.0]non-1-en-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.177630011 u
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-10-11-6-7-13(17-14(2,3)4)15(11,5)9-8-12(10)16/h13H,6-9H2,1-5H3
InChIKey MPNGJIVZTSIMSD-UHFFFAOYSA-N
Molecular Weight 236.355 g/mol
SMILES C=12C(C(OC(C)(C)C)CC2)(CCC(C1C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801177