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2-(2-Iodophenyl)pyrrolidine, N-acetyl-
SpectraBase Compound ID IYgzf8zx9Vl
InChI InChI=1S/C12H14INO/c1-9(15)14-8-4-7-12(14)10-5-2-3-6-11(10)13/h2-3,5-6,12H,4,7-8H2,1H3
InChIKey AZJAZLCAEJFARR-UHFFFAOYSA-N
Mol Weight 315.15 g/mol
Molecular Formula C12H14INO
Exact Mass 315.012009 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LWecIvFruf3
Name 2-(2-Iodophenyl)pyrrolidine, N-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.012009074 u
Formula C12H14INO
InChI InChI=1S/C12H14INO/c1-9(15)14-8-4-7-12(14)10-5-2-3-6-11(10)13/h2-3,5-6,12H,4,7-8H2,1H3
InChIKey AZJAZLCAEJFARR-UHFFFAOYSA-N
Molecular Weight 315.154 g/mol
SMILES C1(I)=C(C2CCCN2C(C)=O)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855505