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(E)-12-iodo-11-methyl-1-phenyldodec-11-en-1-ol
SpectraBase Compound ID 9y8NJ5C6jzJ
InChI InChI=1S/C19H29IO/c1-17(16-20)12-8-5-3-2-4-6-11-15-19(21)18-13-9-7-10-14-18/h7,9-10,13-14,16,19,21H,2-6,8,11-12,15H2,1H3/b17-16+
InChIKey AGZIWDJTYKFFAQ-WUKNDPDISA-N
Mol Weight 400.34 g/mol
Molecular Formula C19H29IO
Exact Mass 400.126311 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5lAgrXpxXHR
Name E-12-Iodo-11-methyl-1-phenyldodec-11-en-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.126310553 u
Formula C19H29IO
InChI InChI=1S/C19H29IO/c1-17(16-20)12-8-5-3-2-4-6-11-15-19(21)18-13-9-7-10-14-18/h7,9-10,13-14,16,19,21H,2-6,8,11-12,15H2,1H3/b17-16+
InChIKey AGZIWDJTYKFFAQ-WUKNDPDISA-N
Molecular Weight 400.344 g/mol
SMILES C\C(=C/I)CCCCCCCCCC(C1=CC=CC=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882597