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3-Nonen-5-one, 9-(5-ethenyl-2-methyl-3,8-dioxabicyclo[3.2.1]oct-2-yl)-2,3,6-trimethyl-, [1R-[1.alpha.,2.beta.(3E,6R*),5.alpha.]]-

View entire compound with spectra: 1 MS (GC)

3-Nonen-5-one, 9-(5-ethenyl-2-methyl-3,8-dioxabicyclo[3.2.1]oct-2-yl)-2,3,6-trimethyl-, [1R-[1.alpha.,2.beta.(3E,6R*),5.alpha.]]-
SpectraBase Compound ID Jpm5FHz4CP4
InChI InChI=1S/C21H34O3/c1-7-21-12-10-19(24-21)20(6,23-14-21)11-8-9-16(4)18(22)13-17(5)15(2)3/h7,13,15-16,19H,1,8-12,14H2,2-6H3/b17-13+/t16-,19-,20-,21+/m1/s1
InChIKey FUDRLPCEYJAVJO-QBGQOFQPSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KQAKacybsi
Name 3-Nonen-5-one, 9-(5-ethenyl-2-methyl-3,8-dioxabicyclo[3.2.1]oct-2-yl)-2,3,6-trimethyl-, [1R-[1.alpha.,2.beta.(3E,6R*),5.alpha.]]-
CAS Registry Number 80408-69-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-7-21-12-10-19(24-21)20(6,23-14-21)11-8-9-16(4)18(22)13-17(5)15(2)3/h7,13,15-16,19H,1,8-12,14H2,2-6H3/b17-13+/t16-,19-,20-,21+/m1/s1
InChIKey FUDRLPCEYJAVJO-QBGQOFQPSA-N
Molecular Weight 334.500 g/mol
SMILES C(\C(=C\C(=O)[C@@](CCC[C@]1(OC[C@]2(O[C@@]1(CC2)[H])C=C)C)(C)[H])C)(C)C
SPLASH splash10-03di-6900000000-063fae9cc6232e2e7876
Source of Spectrum 0-16-282-1
Synonyms (1R,4S,5R)-1-Ethinyl-4-(5'-oxo4',7',8'-trimethyl-6'-nonenyl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane (3E,6R)-9-[(1R,2R,5R)-5-ethenyl-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2,3,6-trimethylnon-3-en-5-one 3,8-Dioxabicyclo[3.2.1]octane, 3-nonen-5-one deriv.
Wiley ID 1331301