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(2E)-2-benzylidene-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
SpectraBase Compound ID AE7UQCtzbw4
InChI InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/b13-11+/t14-,17+/m0/s1
InChIKey OIQXFRANQVWXJF-RGCHEUQESA-N
Mol Weight 240.35 g/mol
Molecular Formula C17H20O
Exact Mass 240.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E6hXfMaWozp
Name (2E)-2-Benzylidene-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.151415263 u
Formula C17H20O
InChI InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/b13-11+/t14-,17+/m0/s1
InChIKey OIQXFRANQVWXJF-RGCHEUQESA-N
Molecular Weight 240.346 g/mol
SMILES [C@]12(C(\C([C@](CC2)(C1(C)C)[H])=C\C=1C=CC=CC1)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879058