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4-tert-Butyl-A-methyl-styrene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

4-tert-Butyl-A-methyl-styrene
SpectraBase Compound ID EoOIiHOn669
InChI InChI=1S/C13H18/c1-10(2)11-6-8-12(9-7-11)13(3,4)5/h6-9H,1H2,2-5H3
InChIKey IHKJXCKVKGBGSQ-UHFFFAOYSA-N
Mol Weight 174.29 g/mol
Molecular Formula C13H18
Exact Mass 174.140851 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5t2DOxkytr2
Name 4-Tert-butyl-alpha-methylstyrene; 4-tert-butyl-alpha-methyl-styrene; benzene, 1-(1,1-dimethylethyl)-4-(1-methylethenyl)-; styrene, p-tert-butyl-alpha-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.140850580 u
Formula C13H18
InChI InChI=1S/C13H18/c1-10(2)11-6-8-12(9-7-11)13(3,4)5/h6-9H,1H2,2-5H3
InChIKey IHKJXCKVKGBGSQ-UHFFFAOYSA-N
Molecular Weight 174.287 g/mol
SMILES C1(=CC=C(C=C1)C(C)(C)C)C(=C)C
Spectrum/Structure Validation Score (Raman) 0.932576