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1-Methoxy-4-(chloromethyl)-2-tert-butyl-6-methylbenzene

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1-Methoxy-4-(chloromethyl)-2-tert-butyl-6-methylbenzene
SpectraBase Compound ID EeYFjkeKJn7
InChI InChI=1S/C13H19ClO/c1-9-6-10(8-14)7-11(12(9)15-5)13(2,3)4/h6-7H,8H2,1-5H3
InChIKey ICLYBBYVGMOTES-UHFFFAOYSA-N
Mol Weight 226.75 g/mol
Molecular Formula C13H19ClO
Exact Mass 226.112443 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E3A2AYLUe84
Name 1-Methoxy-4-(chloromethyl)-2-tert-butyl-6-methylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.112442931 u
Formula C13H19ClO
InChI InChI=1S/C13H19ClO/c1-9-6-10(8-14)7-11(12(9)15-5)13(2,3)4/h6-7H,8H2,1-5H3
InChIKey ICLYBBYVGMOTES-UHFFFAOYSA-N
Molecular Weight 226.747 g/mol
SMILES C=1(C(=C(C)C=C(C1)CCl)OC)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975361