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4-Chloro-2-methylbenzyl alcohol, N-propyl ether

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4-Chloro-2-methylbenzyl alcohol, N-propyl ether
SpectraBase Compound ID ADYTIgdNCtj
InChI InChI=1S/C11H15ClO/c1-3-6-13-8-10-4-5-11(12)7-9(10)2/h4-5,7H,3,6,8H2,1-2H3
InChIKey VBLZCKCFCIOOQV-UHFFFAOYSA-N
Mol Weight 198.69 g/mol
Molecular Formula C11H15ClO
Exact Mass 198.081143 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JCKY8knsikK
Name 4-Chloro-2-methylbenzyl alcohol, N-propyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.081142802 u
Formula C11H15ClO
InChI InChI=1S/C11H15ClO/c1-3-6-13-8-10-4-5-11(12)7-9(10)2/h4-5,7H,3,6,8H2,1-2H3
InChIKey VBLZCKCFCIOOQV-UHFFFAOYSA-N
Molecular Weight 198.693 g/mol
SMILES C1=C(C(=CC(=C1)Cl)C)COCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895936