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2,5-Dichlorobenzyl alcohol, neopentyl ether

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2,5-Dichlorobenzyl alcohol, neopentyl ether
SpectraBase Compound ID 6ircXXpd40t
InChI InChI=1S/C12H16Cl2O/c1-12(2,3)8-15-7-9-6-10(13)4-5-11(9)14/h4-6H,7-8H2,1-3H3
InChIKey DJHZBBUCEQQVIN-UHFFFAOYSA-N
Mol Weight 247.16 g/mol
Molecular Formula C12H16Cl2O
Exact Mass 246.057821 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KSkzNgvQK8o
Name 2,5-Dichlorobenzyl alcohol, neopentyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.057820534 u
Formula C12H16Cl2O
InChI InChI=1S/C12H16Cl2O/c1-12(2,3)8-15-7-9-6-10(13)4-5-11(9)14/h4-6H,7-8H2,1-3H3
InChIKey DJHZBBUCEQQVIN-UHFFFAOYSA-N
Molecular Weight 247.165 g/mol
SMILES C1(=C(C=CC(=C1)Cl)Cl)COCC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832186