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(4R,5S)-2,2-Dimethyl-4-methoxycarbonylethenyl-5-[(E)-dodec-1-enyl]-1,3-dioxolane
SpectraBase Compound ID Brm4In2THHr
InChI InChI=1S/C21H36O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-19(16-17-20(22)23-4)25-21(2,3)24-18/h14-19H,5-13H2,1-4H3/b15-14+,17-16+/t18-,19+/m1/s1
InChIKey NVVDVFJLMNRMJV-IGLOFBLMSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xnS6hXpDMm
Name (4R,5S)-2,2-Dimethyl-4-methoxycarbonylethenyl-5-[(E)-dodec-1-enyl]-1,3-dioxolane
Alternate Name(s) (4R,5S)-2,2-Dimethyl-4-methoxycarbonylethenyl-5-[(E)-dodec-1-enyl]-1,3-dioxane (4S,5R)-2,2-Dimethyl-4-methoxycarbonylethenyl-5-[(E)-dodec-1-enyl]-1,3-dioxane (4S,5R)-2,2-Dimethyl-4-methoxycarbonylethenyl-5-[(E)-dodec-1-enyl]-1,3-dioxolane Methyl (2E)-3-{(4R,5S)-5-[(1E)-1-dodecenyl]-2,2-dimethyl-1,3-dioxolan-4-yl}-2-propenoate
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Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-19(16-17-20(22)23-4)25-21(2,3)24-18/h14-19H,5-13H2,1-4H3/b15-14+,17-16+/t18-,19+/m1/s1
InChIKey NVVDVFJLMNRMJV-IGLOFBLMSA-N
Molecular Weight 352.515 g/mol
SMILES C1(O[C@@](\C=C\C(=O)OC)([C@](O1)(\C=C\CCCCCCCCCC)[H])[H])(C)C
SPLASH splash10-052b-9520000000-7a72d1a6557ad816f58d
Source of Spectrum KC-0-1015-12
Wiley ID 787959