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2-(Benzoyloxy)-2-(2-methylphenyl)acetonitrile

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2-(Benzoyloxy)-2-(2-methylphenyl)acetonitrile
SpectraBase Compound ID Kbh6lvVuNAg
InChI InChI=1S/C16H13NO2/c1-12-7-5-6-10-14(12)15(11-17)19-16(18)13-8-3-2-4-9-13/h2-10,15H,1H3
InChIKey RODCUZYSARZNPI-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1vW14DKFhYR
Name 2-(Benzoyloxy)-2-(2-methylphenyl)acetonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.094628661 u
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-12-7-5-6-10-14(12)15(11-17)19-16(18)13-8-3-2-4-9-13/h2-10,15H,1H3
InChIKey RODCUZYSARZNPI-UHFFFAOYSA-N
Molecular Weight 251.285 g/mol
SMILES C(C(C=1C(=CC=CC1)C)OC(C=1C=CC=CC1)=O)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954335