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Methyl 1-(3'-iodo-2'-methylpropyl)-2-oxocyclododecanoate
SpectraBase Compound ID DVgZwswFQXP
InChI InChI=1S/C18H31IO3/c1-15(14-19)13-18(17(21)22-2)12-10-8-6-4-3-5-7-9-11-16(18)20/h15H,3-14H2,1-2H3
InChIKey PXKBYEIMQHXCCI-UHFFFAOYSA-N
Mol Weight 422.35 g/mol
Molecular Formula C18H31IO3
Exact Mass 422.13179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJLLKC9fsKu
Name Methyl 1-(3'-iodo-2'-methylpropyl)-2-oxocyclododecanoate
Alternate Name(s) Methyl 1-(3-iodo-2-methylpropyl)-2-oxocyclododecanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31IO3
InChI InChI=1S/C18H31IO3/c1-15(14-19)13-18(17(21)22-2)12-10-8-6-4-3-5-7-9-11-16(18)20/h15H,3-14H2,1-2H3
InChIKey PXKBYEIMQHXCCI-UHFFFAOYSA-N
Molecular Weight 422.347 g/mol
SMILES C1(C(=O)OC)(C(=O)CCCCCCCCCC1)CC(CI)C
SPLASH splash10-0002-0090100000-1a33a9e610f008d9427d
Source of Spectrum F-48-4784-15
Wiley ID 1378469