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2-Nonen-5-one, 9-(5-ethenyl-2-methyl-3,8-dioxabicyclo[3.2.1]oct-2-yl)-2,6-dimethyl-, [1R-[1.alpha.,2.beta.(R*),5.alpha.]]-
SpectraBase Compound ID 4MBsy6p2PHu
InChI InChI=1S/C20H32O3/c1-6-20-13-11-18(23-20)19(5,22-14-20)12-7-8-16(4)17(21)10-9-15(2)3/h6,9,16,18H,1,7-8,10-14H2,2-5H3/t16?,18-,19-,20+/m1/s1
InChIKey UBDGUERWSQNHRG-NLBBHCLQSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3R5KAwfjA0
Name 2-Nonen-5-one, 9-(5-ethenyl-2-methyl-3,8-dioxabicyclo[3.2.1]oct-2-yl)-2,6-dimethyl-, [1R-[1.alpha.,2.beta.(R*),5.alpha.]]-
Alternate Name(s) (1R,4S,5R)-1-Ethinyl-4-(5'-oxo-4',8'-dimethyl-7'-nonenyl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane 3,8-Dioxabicyclo[3.2.1]octane, 2-nonen-5-one deriv. 9-[(1R,2R,5R)-5-ethenyl-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2,6-dimethylnon-2-en-5-one
CAS Registry Number 71117-47-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-6-20-13-11-18(23-20)19(5,22-14-20)12-7-8-16(4)17(21)10-9-15(2)3/h6,9,16,18H,1,7-8,10-14H2,2-5H3/t16?,18-,19-,20+/m1/s1
InChIKey UBDGUERWSQNHRG-NLBBHCLQSA-N
Molecular Weight 320.473 g/mol
SMILES [C@@]12(O[C@@]([C@](OC2)(CCCC(C(CC=C(C)C)=O)C)C)(CC1)[H])C=C
SPLASH splash10-014j-9300000000-df1e06d48deaf34875b3
Source of Spectrum 0-16-282-1
Wiley ID 1320403