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(1'E,4R,5S)-4-(7'-Benzyloxy-3'-oxohep-1-en-1'-yl)-2,2,5-trimethyl-1,3-dioxolane
SpectraBase Compound ID 2Yu0PsQaQJs
InChI InChI=1S/C20H28O4/c1-16-19(24-20(2,3)23-16)13-12-18(21)11-7-8-14-22-15-17-9-5-4-6-10-17/h4-6,9-10,12-13,16,19H,7-8,11,14-15H2,1-3H3/b13-12+/t16-,19-/m0/s1
InChIKey YOQNIYFSKSLMFZ-BIZPYBIZSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2tHzwS1XEE
Name (1'E,4R,5S)-4-(7'-Benzyloxy-3'-oxohep-1-en-1'-yl)-2,2,5-trimethyl-1,3-dioxolane
Alternate Name(s) (E)-7-phenylmethoxy-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1-hepten-3-one (E)-7-benzyloxy-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hept-1-en-3-one (E)-7-phenylmethoxy-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]hept-1-en-3-one
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Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-16-19(24-20(2,3)23-16)13-12-18(21)11-7-8-14-22-15-17-9-5-4-6-10-17/h4-6,9-10,12-13,16,19H,7-8,11,14-15H2,1-3H3/b13-12+/t16-,19-/m0/s1
InChIKey YOQNIYFSKSLMFZ-BIZPYBIZSA-N
Molecular Weight 332.440 g/mol
SMILES C1(O[C@@](\C=C\C(=O)CCCCOCc2ccccc2)([C@@](O1)(C)[H])[H])(C)C
SPLASH splash10-03fs-4910000000-cf2bd922780fb3f11ba1
Source of Spectrum K-2002-877-7
Wiley ID 1581167