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1-Methyl-2-(2-methoxyoctyl)benzene

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

1-Methyl-2-(2-methoxyoctyl)benzene
SpectraBase Compound ID 44WP7x3911y
InChI InChI=1S/C16H26O/c1-4-5-6-7-12-16(17-3)13-15-11-9-8-10-14(15)2/h8-11,16H,4-7,12-13H2,1-3H3
InChIKey QHWBGGJEWYYGJI-UHFFFAOYSA-N
Mol Weight 234.38 g/mol
Molecular Formula C16H26O
Exact Mass 234.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FT1Ht9QjOWa
Name 1-Methyl-2-(2-methoxyoctyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.198365456 u
Formula C16H26O
InChI InChI=1S/C16H26O/c1-4-5-6-7-12-16(17-3)13-15-11-9-8-10-14(15)2/h8-11,16H,4-7,12-13H2,1-3H3
InChIKey QHWBGGJEWYYGJI-UHFFFAOYSA-N
Molecular Weight 234.383 g/mol
SMILES C=1(C(=CC=CC1)CC(CCCCCC)OC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868448