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Butanenitrile, 4-(4-chlorophenoxy)-3-hydroxy-

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Butanenitrile, 4-(4-chlorophenoxy)-3-hydroxy-
SpectraBase Compound ID 9GGtyubx2DN
InChI InChI=1S/C10H10ClNO2/c11-8-1-3-10(4-2-8)14-7-9(13)5-6-12/h1-4,9,13H,5,7H2
InChIKey LCRZUPUZVGGZJD-UHFFFAOYSA-N
Mol Weight 211.65 g/mol
Molecular Formula C10H10ClNO2
Exact Mass 211.040006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AIkcbS0MtQ1
Name Butanenitrile, 4-(4-chlorophenoxy)-3-hydroxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.040006264 u
Formula C10H10ClNO2
InChI InChI=1S/C10H10ClNO2/c11-8-1-3-10(4-2-8)14-7-9(13)5-6-12/h1-4,9,13H,5,7H2
InChIKey LCRZUPUZVGGZJD-UHFFFAOYSA-N
Molecular Weight 211.648 g/mol
SMILES C(COC=1C=CC(=CC1)Cl)(CC#N)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936474