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(1R,3aR,8R,8aS)-8-acetyl-1-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-one

View entire compound with spectra: 1 MS (GC)

(1R,3aR,8R,8aS)-8-acetyl-1-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-one
SpectraBase Compound ID 3kYcvRQX8Hd
InChI InChI=1S/C13H20O2/c1-8-6-7-11-12(15)5-3-4-10(9(2)14)13(8)11/h8,10-11,13H,3-7H2,1-2H3/t8-,10+,11+,13+/m1/s1
InChIKey FVYBONJZCMSLFD-BQUSMCMVSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cdF7Ovqe3K
Name (1R,3aR,8R,8aS)-8-acetyl-1-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-one
Alternate Name(s) (1R,3aR,8R,8aS)-8-ethanoyl-1-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-one
CAS Registry Number 132842-97-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-8-6-7-11-12(15)5-3-4-10(9(2)14)13(8)11/h8,10-11,13H,3-7H2,1-2H3/t8-,10+,11+,13+/m1/s1
InChIKey FVYBONJZCMSLFD-BQUSMCMVSA-N
Molecular Weight 208.301 g/mol
SMILES [C@@]12([C@](C(=O)CCC[C@]2(C(=O)C)[H])(CC[C@]1(C)[H])[H])[H]
SPLASH splash10-053v-9730000000-8aae8015814343da02d7
Source of Spectrum F-46-7245-15
Wiley ID 1207224