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5-Iodo-3-phenylhex-5-enoic acid

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5-Iodo-3-phenylhex-5-enoic acid
SpectraBase Compound ID CKN7PamTkrT
InChI InChI=1S/C12H13IO2/c1-9(13)7-11(8-12(14)15)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2,(H,14,15)
InChIKey NGCFEVNORORZCM-UHFFFAOYSA-N
Mol Weight 316.14 g/mol
Molecular Formula C12H13IO2
Exact Mass 315.996025 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 89Ku9PLmpID
Name 5-Iodo-3-phenylhex-5-enoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.996024657 u
Formula C12H13IO2
InChI InChI=1S/C12H13IO2/c1-9(13)7-11(8-12(14)15)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2,(H,14,15)
InChIKey NGCFEVNORORZCM-UHFFFAOYSA-N
Molecular Weight 316.138 g/mol
SMILES C(C(CC(I)=C)C1=CC=CC=C1)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966175