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4-(2'-Chloro-3'-methylpentyloxy]-phenol

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

4-(2'-Chloro-3'-methylpentyloxy]-phenol
SpectraBase Compound ID GQE26LmrC67
InChI InChI=1S/C12H17ClO2/c1-3-9(2)12(13)8-15-11-6-4-10(14)5-7-11/h4-7,9,12,14H,3,8H2,1-2H3
InChIKey HFPOWLODGZXELK-UHFFFAOYSA-N
Mol Weight 228.72 g/mol
Molecular Formula C12H17ClO2
Exact Mass 228.091707 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GrApDKFZZkb
Name 4-(2'-Chloro-3'-methylpentyloxy]-phenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.091707485 u
Formula C12H17ClO2
InChI InChI=1S/C12H17ClO2/c1-3-9(2)12(13)8-15-11-6-4-10(14)5-7-11/h4-7,9,12,14H,3,8H2,1-2H3
InChIKey HFPOWLODGZXELK-UHFFFAOYSA-N
Molecular Weight 228.719 g/mol
SMILES C(OC=1C=CC(=CC1)O)C(Cl)C(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85901