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Dimethyl 2-chloromethyl-12-hydroxy-13-(8-formyloctyl)-14-methylene-2-pentadecendioate
SpectraBase Compound ID 2ti0dmcLy6I
InChI InChI=1S/C28H47ClO6/c1-23(27(32)34-2)25(19-15-11-7-5-9-13-17-21-30)26(31)20-16-12-8-4-6-10-14-18-24(22-29)28(33)35-3/h18,21,25-26,31H,1,4-17,19-20,22H2,2-3H3/b24-18+
InChIKey XNUQDEQFDUGXTE-HKOYGPOVSA-N
Mol Weight 515.1 g/mol
Molecular Formula C28H47ClO6
Exact Mass 514.306117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9MTXgaRl9U
Name Dimethyl 2-chloromethyl-12-hydroxy-13-(8-formyloctyl)-14-methylene-2-pentadecendioate
Alternate Name(s) Dimethyl (2Z)-2-(chloromethyl)-12-hydroxy-14-methylene-13-(9-oxononyl)-2-pentadecenedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H47ClO6
InChI InChI=1S/C28H47ClO6/c1-23(27(32)34-2)25(19-15-11-7-5-9-13-17-21-30)26(31)20-16-12-8-4-6-10-14-18-24(22-29)28(33)35-3/h18,21,25-26,31H,1,4-17,19-20,22H2,2-3H3/b24-18+
InChIKey XNUQDEQFDUGXTE-HKOYGPOVSA-N
Molecular Weight 515.131 g/mol
SMILES OC(CCCCCCCC\C=C\(C(=O)OC)CCl)C(C(C(=O)OC)=C)CCCCCCCCC=O
SPLASH splash10-0apl-9100000000-88f778fcd17635b25623
Source of Spectrum E1-38-34-17
Wiley ID 1518076