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(E)-12-iodo-11-methyl-1-phenyldodec-11-en-1-one
SpectraBase Compound ID 94LRQHchqv2
InChI InChI=1S/C19H27IO/c1-17(16-20)12-8-5-3-2-4-6-11-15-19(21)18-13-9-7-10-14-18/h7,9-10,13-14,16H,2-6,8,11-12,15H2,1H3/b17-16+
InChIKey QIMKEDUKXCFMGP-WUKNDPDISA-N
Mol Weight 398.33 g/mol
Molecular Formula C19H27IO
Exact Mass 398.11066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1v60iZIqz7c
Name (E)-12-iodo-11-methyl-1-phenyldodec-11-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27IO
InChI InChI=1S/C19H27IO/c1-17(16-20)12-8-5-3-2-4-6-11-15-19(21)18-13-9-7-10-14-18/h7,9-10,13-14,16H,2-6,8,11-12,15H2,1H3/b17-16+
InChIKey QIMKEDUKXCFMGP-WUKNDPDISA-N
Literature Reference DOI 10.1021/ol070904q
Molecular Weight 398.328 g/mol
SMILES C\C(=C/I)CCCCCCCCCC(c1ccccc1)=O
SPLASH splash10-0uxr-0900000000-f3647cdb347178418cd5
Source of Spectrum A1-9-2799/SMS38-54c
Wiley ID 1758259