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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-, O-methyloxime, [1R-[1.alpha.,2.beta.(R*),5.alpha.]]-
SpectraBase Compound ID Kbvtqxeg5AH
InChI InChI=1S/C21H35NO3/c1-7-21-14-12-19(25-21)20(5,24-15-21)13-8-9-17(4)18(22-23-6)11-10-16(2)3/h7,10,17,19H,1,8-9,11-15H2,2-6H3/b22-18+/t17?,19-,20-,21+/m1/s1
InChIKey DWUFVMIGWAXOIJ-ZBZBLCTLSA-N
Mol Weight 349.5 g/mol
Molecular Formula C21H35NO3
Exact Mass 349.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rkU1lS1cqS
Name 2-Nonen-5-one, 9-(5-ethenyl-2-methyl-3,8-dioxabicyclo[3.2.1]oct-2-yl)-2,6-dimethyl-, O-methyloxime, [1R-[1.alpha.,2.beta.(R*),5.alpha.]]-
CAS Registry Number 80368-92-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35NO3
InChI InChI=1S/C21H35NO3/c1-7-21-14-12-19(25-21)20(5,24-15-21)13-8-9-17(4)18(22-23-6)11-10-16(2)3/h7,10,17,19H,1,8-9,11-15H2,2-6H3/b22-18+/t17?,19-,20-,21+/m1/s1
InChIKey DWUFVMIGWAXOIJ-ZBZBLCTLSA-N
Molecular Weight 349.515 g/mol
SMILES [C@@]12(O[C@@]([C@](OC2)(CCCC(\C(=N\OC)CC=C(C)C)C)C)(CC1)[H])C=C
SPLASH splash10-014j-9500000000-9537e1bf95c71f327a90
Source of Spectrum 0-16-282-1
Synonyms (1R,4S,5R)-1-Ethinyl-4-(5'-methoxyimino-4',8'-dimethyl-7'-nonenyl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane (E)-{9-[(1R,2R,5R)-5-ethenyl-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2,6-dimethylnon-2-en-5-ylidene}(methoxy)amine 3,8-Dioxabicyclo[3.2.1]octane, 2-nonen-5-one deriv.
Wiley ID 1341471