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N-(4-Methoxybenzyl)-(1S*,2S*)-2-iodocyclopropanecarboxamide

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

N-(4-Methoxybenzyl)-(1S*,2S*)-2-iodocyclopropanecarboxamide
SpectraBase Compound ID AFJm6GBjUfz
InChI InChI=1S/C12H14INO2/c1-16-9-4-2-8(3-5-9)7-14-12(15)10-6-11(10)13/h2-5,10-11H,6-7H2,1H3,(H,14,15)/t10-,11+/m1/s1
InChIKey FHZCYTCNJLCHBM-MNOVXSKESA-N
Mol Weight 331.15 g/mol
Molecular Formula C12H14INO2
Exact Mass 331.006924 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GQfeXMXmXbL
Name N-(4-Methoxybenzyl)-(1S*,2S*)-2-iodocyclopropanecarboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.006923693 u
Formula C12H14INO2
InChI InChI=1S/C12H14INO2/c1-16-9-4-2-8(3-5-9)7-14-12(15)10-6-11(10)13/h2-5,10-11H,6-7H2,1H3,(H,14,15)/t10-,11+/m1/s1
InChIKey FHZCYTCNJLCHBM-MNOVXSKESA-N
Molecular Weight 331.153 g/mol
SMILES [C@]1(I)([C@@]([H])(C1)C(=O)NCC1=CC=C(C=C1)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887037