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1-(3-Bicyclo[3.3.1]non-6-enyl)-2-methyl-1-propanone

View entire compound with spectra: 1 FTIR

1-(3-Bicyclo[3.3.1]non-6-enyl)-2-methyl-1-propanone
SpectraBase Compound ID KvWGffDiNxK
InChI InChI=1S/C13H20O/c1-9(2)13(14)12-7-10-4-3-5-11(6-10)8-12/h3-4,9-12H,5-8H2,1-2H3/t10-,11-,12?/m1/s1
InChIKey WBTCSYHJOBGZCW-XFKKCKKNSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AmYKNYF3e0w
Name 1-(3-Bicyclo[3.3.1]non-6-enyl)-2-methyl-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.151415263 u
Formula C13H20O
InChI InChI=1S/C13H20O/c1-9(2)13(14)12-7-10-4-3-5-11(6-10)8-12/h3-4,9-12H,5-8H2,1-2H3/t10-,11-,12?/m1/s1
InChIKey WBTCSYHJOBGZCW-XFKKCKKNSA-N
Molecular Weight 192.302 g/mol
SMILES C(=O)(C1C[C@@]2(CC=C[C@@](C1)(C2)[H])[H])C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958774