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(phenylmethyl) 11-[3-methyl-5-[(E)-pent-1-enyl]furan-2-yl]undec-10-ynoate
SpectraBase Compound ID IFM3ewWNmyF
InChI InChI=1S/C28H36O3/c1-3-4-12-19-26-22-24(2)27(31-26)20-15-9-7-5-6-8-10-16-21-28(29)30-23-25-17-13-11-14-18-25/h11-14,17-19,22H,3-10,16,21,23H2,1-2H3/b19-12+
InChIKey CTLVVSDFSVACML-XDHOZWIPSA-N
Mol Weight 420.6 g/mol
Molecular Formula C28H36O3
Exact Mass 420.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H40fXbrizI0
Name (phenylmethyl) 11-[3-methyl-5-[(E)-pent-1-enyl]furan-2-yl]undec-10-ynoate
Alternate Name(s) 11-[3-methyl-5-[(E)-pent-1-enyl]-2-furanyl]-10-undecynoic acid (phenylmethyl) ester 11-[3-methyl-5-[(E)-pent-1-enyl]-2-furyl]undec-10-ynoic acid benzyl ester benzyl 11-[3-methyl-5-[(E)-pent-1-enyl]-2-furyl]undec-10-ynoate benzyl 11-[3-methyl-5-[(E)-pent-1-enyl]furan-2-yl]undec-10-ynoate
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Formula C28H36O3
InChI InChI=1S/C28H36O3/c1-3-4-12-19-26-22-24(2)27(31-26)20-15-9-7-5-6-8-10-16-21-28(29)30-23-25-17-13-11-14-18-25/h11-14,17-19,22H,3-10,16,21,23H2,1-2H3/b19-12+
InChIKey CTLVVSDFSVACML-XDHOZWIPSA-N
Molecular Weight 420.593 g/mol
SMILES c1(oc(\C=C\CCC)cc1C)C#CCCCCCCCCC(=O)OCc1ccccc1
SPLASH splash10-002f-9001300000-1d48bda8ca27c2403e53
Source of Spectrum U1-1999-2056-24
Wiley ID 814958