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1-(3-Methylphenyl)adamantane

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

1-(3-Methylphenyl)adamantane
SpectraBase Compound ID JQao11YcEWx
InChI InChI=1S/C17H22/c1-12-3-2-4-16(5-12)17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3
InChIKey DEDRRRFOMKBUOO-UHFFFAOYSA-N
Mol Weight 226.36 g/mol
Molecular Formula C17H22
Exact Mass 226.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID XWzthee8ks
Name 1-(3-Methylphenyl)adamantane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.172150708 u
Formula C17H22
InChI InChI=1S/C17H22/c1-12-3-2-4-16(5-12)17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3
InChIKey DEDRRRFOMKBUOO-UHFFFAOYSA-N
Molecular Weight 226.363 g/mol
SMILES C12(C=3C=C(C)C=CC3)CC3CC(C1)CC(C2)C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880123