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(S)-1-Methyl-9-( 2',4'-dimethoxyphenyl)bicyclo[4.3.0]nona-6,8-diene
SpectraBase Compound ID CUifwvin8xE
InChI InChI=1S/C18H22O2/c1-18-11-5-4-6-13(18)7-10-16(18)15-9-8-14(19-2)12-17(15)20-3/h7-10,12H,4-6,11H2,1-3H3/t18-/m0/s1
InChIKey WETVCYNQZFDPAH-SFHVURJKSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5seimbOB0oM
Name (S)-1-Methyl-9-( 2',4'-dimethoxyphenyl)bicyclo[4.3.0]nona-6,8-diene
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 270.161979946 u
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-18-11-5-4-6-13(18)7-10-16(18)15-9-8-14(19-2)12-17(15)20-3/h7-10,12H,4-6,11H2,1-3H3/t18-/m0/s1
InChIKey WETVCYNQZFDPAH-SFHVURJKSA-N
Molecular Weight 270.372 g/mol
SMILES C=1([C@@]2(C(CCCC2)=CC1)C)C=1C(=CC(=CC1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812109