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2-Chloranyl-2-(3,4-dimethoxyphenyl)ethanenitrile

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

2-Chloranyl-2-(3,4-dimethoxyphenyl)ethanenitrile
SpectraBase Compound ID EcCIN5uwteY
InChI InChI=1S/C10H10ClNO2/c1-13-9-4-3-7(8(11)6-12)5-10(9)14-2/h3-5,8H,1-2H3
InChIKey AFSNCSXRLHCEKN-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 HvZNzV0Koi5
Name 2-Chloranyl-2-(3,4-dimethoxyphenyl)ethanenitrile
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/c1-13-9-4-3-7(8(11)6-12)5-10(9)14-2/h3-5,8H,1-2H3
InChIKey AFSNCSXRLHCEKN-UHFFFAOYSA-N
Molecular Weight 211.648 g/mol
SMILES C=1(C(=CC(=CC1)C(Cl)C#N)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924183