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3-(Allylamino)-3-(4-iodophenyl)acrylonitrile

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3-(Allylamino)-3-(4-iodophenyl)acrylonitrile
SpectraBase Compound ID IiCfgVtPXM6
InChI InChI=1S/C12H11IN2/c1-2-9-15-12(7-8-14)10-3-5-11(13)6-4-10/h2-7,15H,1,9H2/b12-7+
InChIKey JQNHBPYYKBSOOA-KPKJPENVSA-N
Mol Weight 310.14 g/mol
Molecular Formula C12H11IN2
Exact Mass 309.996693 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6R7GSTxrICZ
Name 3-(Allylamino)-3-(4-iodophenyl)acrylonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.996693362 u
Formula C12H11IN2
InChI InChI=1S/C12H11IN2/c1-2-9-15-12(7-8-14)10-3-5-11(13)6-4-10/h2-7,15H,1,9H2/b12-7+
InChIKey JQNHBPYYKBSOOA-KPKJPENVSA-N
Molecular Weight 310.138 g/mol
SMILES C(#N)\C=C/(C1=CC=C(C=C1)I)NCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840954