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21-(2-FURYL)-HENEICOSA-14,16-DIYNE-19-(2-FURYL)-NONADECA-5,7-DIYONATE
SpectraBase Compound ID JqkrfRaVnDF
InChI InChI=1S/C48H68O4/c49-48(42-34-30-26-22-18-14-10-6-5-9-13-17-21-25-29-33-39-47-41-37-45-51-47)52-43-35-31-27-23-19-15-11-7-3-1-2-4-8-12-16-20-24-28-32-38-46-40-36-44-50-46/h36-37,40-41,44-45H,1-7,9-11,13,15,17,19,21,23-25,27-35,38-39,42-43H2
InChIKey IIMUYKPOBAQTRX-UHFFFAOYSA-N
Mol Weight 709.1 g/mol
Molecular Formula C48H68O4
Exact Mass 708.511761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhlQfFWrq19
Name 21'-(2''-Furyl)heneicosa-14',16'-diyn-1'-yl 19-(2"-Furyl)nonadeca-5,7-diyn-1-oate
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Formula C48H68O4
InChI InChI=1S/C48H68O4/c49-48(42-34-30-26-22-18-14-10-6-5-9-13-17-21-25-29-33-39-47-41-37-45-51-47)52-43-35-31-27-23-19-15-11-7-3-1-2-4-8-12-16-20-24-28-32-38-46-40-36-44-50-46/h36-37,40-41,44-45H,1-7,9-11,13,15,17,19,21,23-25,27-35,38-39,42-43H2
InChIKey IIMUYKPOBAQTRX-UHFFFAOYSA-N
Molecular Weight 709.068 g/mol
SMILES C(C#CCCCCCCCCCCCCCOC(=O)CCCC#CC#CCCCCCCCCCCCc1occc1)#CCCCCc1occc1
SPLASH splash10-001i-9310000000-385fe353cc59abd19585
Source of Spectrum G4-69-71-4
Synonyms 19-(2-furanyl)nonadeca-5,7-diynoic acid 21-(2-furanyl)heneicosa-14,16-diynyl ester 21-(2-furyl)henicosa-14,16-diynyl 19-(2-furyl)nonadeca-5,7-diynoate 21-(furan-2-yl)henicosa-14,16-diynyl 19-(furan-2-yl)nonadeca-5,7-diynoate
Wiley ID 1694638