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(R)-1-Tert-butyl-4-(3'-methylbut-3'-en-2'-yl)benzene

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

(R)-1-Tert-butyl-4-(3'-methylbut-3'-en-2'-yl)benzene
SpectraBase Compound ID KwjAeIbaKEq
InChI InChI=1S/C15H22/c1-11(2)12(3)13-7-9-14(10-8-13)15(4,5)6/h7-10,12H,1H2,2-6H3/t12-/m1/s1
InChIKey ZCODQBGOLAHWJJ-GFCCVEGCSA-N
Mol Weight 202.34 g/mol
Molecular Formula C15H22
Exact Mass 202.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HPGEhCtfKyW
Name (R)-1-Tert-butyl-4-(3'-methylbut-3'-en-2'-yl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.172150708 u
Formula C15H22
InChI InChI=1S/C15H22/c1-11(2)12(3)13-7-9-14(10-8-13)15(4,5)6/h7-10,12H,1H2,2-6H3/t12-/m1/s1
InChIKey ZCODQBGOLAHWJJ-GFCCVEGCSA-N
Molecular Weight 202.341 g/mol
SMILES C1=C(C=CC(=C1)[C@@](C(=C)C)(C)[H])C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950568