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Methyl 15-(4-iodophenyl)pentadecanoate
SpectraBase Compound ID 2dVCTVVvXYE
InChI InChI=1S/C22H35IO2/c1-25-22(24)15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-16-18-21(23)19-17-20/h16-19H,2-15H2,1H3
InChIKey BNGBPDHBXPNKEU-UHFFFAOYSA-N
Mol Weight 458.4 g/mol
Molecular Formula C22H35IO2
Exact Mass 458.168175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IojnhaSCtJ
Name Methyl 15-(4-iodophenyl)pentadecanoate
Alternate Name(s) 15-(4-iodophenyl)pentadecanoic acid methyl ester Methyl (4-iodophenyl)pentadecanoate
CAS Registry Number 88337-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35IO2
InChI InChI=1S/C22H35IO2/c1-25-22(24)15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-16-18-21(23)19-17-20/h16-19H,2-15H2,1H3
InChIKey BNGBPDHBXPNKEU-UHFFFAOYSA-N
Molecular Weight 458.424 g/mol
SMILES COC(CCCCCCCCCCCCCCc1ccc(cc1)I)=O
SPLASH splash10-0f9w-9762000000-80810534ae681c2c6226
Source of Spectrum W5-1989-37788-27748
Wiley ID 1389802