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Zizanyl acetate

View entire compound with spectra: 3 MS (GC)

Zizanyl acetate
SpectraBase Compound ID FQSHwL2vbtX
InChI InChI=1S/C17H26O2/c1-11-15-6-5-14(10-19-12(2)18)17(15)8-7-13(9-17)16(11,3)4/h13-15H,1,5-10H2,2-4H3/t13-,14-,15-,17+/m1/s1
InChIKey BSDFLYIGEBAWIU-ANQUJSFKSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UFarlig97V
Name Zizanyl acetate
Classification Sesquiterpenoids
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 262.193280075 u
Formula C17H26O2
InChI InChI=1S/C17H26O2/c1-11-15-6-5-14(10-19-12(2)18)17(15)8-7-13(9-17)16(11,3)4/h13-15H,1,5-10H2,2-4H3/t13-,14-,15-,17+/m1/s1
InChIKey BSDFLYIGEBAWIU-ANQUJSFKSA-N
Molecular Weight 262.393 g/mol
Number of Peaks 18
SMILES CC1([C@]2(C[C@]3([C@](CC[C@]3([H])C1=C)(COC(C)=O)[H])CC2)[H])C
SPLASH splash10-05mo-9510000000-7339a1228521490035b4
Source of Spectrum FF-15-403-142 (DOI: 10.1002_1099-1026(200011_12)15_6_395)
Synonyms Ziza-6-(13)-en-12-yl-acetate [(1R,2S,5S,8R)-7,7-dimethyl-6-methylenetricyclo[6.2.1.0(1,5)]undec-2-yl]methyl acetate ((3S,3aR,6R,8aS)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Wiley ID 1775276