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(Sa,R)-Diethyl 2-(1-phenylpentadeca-3,4-dien-6-yl)malonate
SpectraBase Compound ID HjYJU1NvVC9
InChI InChI=1S/C28H42O4/c1-4-7-8-9-10-11-17-22-25(26(27(29)31-5-2)28(30)32-6-3)23-18-13-16-21-24-19-14-12-15-20-24/h12-15,19-20,23,25-26H,4-11,16-17,21-22H2,1-3H3/t18?,25-/m1/s1
InChIKey HNNMDCVIWRJLNI-IXXGTQFESA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DyiDVd9BWe
Name (Sa,R)-Diethyl 2-(1-phenylpentadeca-3,4-dien-6-yl)malonate
Alternate Name(s) djx-6-036 Diethyl 2-((6R)-1-phenylpentadeca-3,4-dien-6-yl)malonate Diethyl 2-((4S,6R)-1-phenylpentadeca-3,4-dien-6-yl)malonate
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Formula C28H42O4
InChI InChI=1S/C28H42O4/c1-4-7-8-9-10-11-17-22-25(26(27(29)31-5-2)28(30)32-6-3)23-18-13-16-21-24-19-14-12-15-20-24/h12-15,19-20,23,25-26H,4-11,16-17,21-22H2,1-3H3/t18?,25-/m1/s1
InChIKey HNNMDCVIWRJLNI-IXXGTQFESA-N
Molecular Weight 442.640 g/mol
SMILES C(=[C@]=C([C@](C(C(OCC)=O)C(=O)OCC)(CCCCCCCCC)[H])[H])(CCc1ccccc1)[H]
SPLASH splash10-000x-9090100000-a581fa5633931b57a325
Source of Spectrum CJC-36-SM40-(Sa,R)_3mc
Wiley ID 1812809