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alpha-Kessyl Acetate
SpectraBase Compound ID 7rG37zobVBk
InChI InChI=1S/C17H28O3/c1-10-8-14(19-11(2)18)15-13(10)9-12-6-7-17(15,5)20-16(12,3)4/h10,12-15H,6-9H2,1-5H3/t10-,12-,13-,14-,15+,17+/m1/s1
InChIKey SXGDMINSYARVTP-ZTUHZDJASA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwproHEeghl
Name alpha-Kessyl Acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-10-8-14(19-11(2)18)15-13(10)9-12-6-7-17(15,5)20-16(12,3)4/h10,12-15H,6-9H2,1-5H3/t10-,12-,13-,14-,15+,17+/m1/s1
InChIKey SXGDMINSYARVTP-ZTUHZDJASA-N
Literature Reference DOI 10.1002/cbdv.200590087
Molecular Weight 280.408 g/mol
SMILES [C@]12(CC[C@](C[C@@]3([H])[C@@]2([H])[C@](OC(C)=O)(C[C@]3(C)[H])[H])(C(O1)(C)C)[H])C
SPLASH splash10-0a4i-3900000000-a9d996b68aeaa3941eeb
Source of Spectrum CBD-2-1181-4
Synonyms (1R,3R,3aS,4R,8aR)-1,4,9,9-tetramethyldecahydro-4,7-(epoxymethano)azulen-3-yl acetate
Wiley ID 1790236