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exo-Avarone

View entire compound with spectra: 2 MS (GC)

exo-Avarone
SpectraBase Compound ID 4XwY7WphFoi
InChI InChI=1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20+,21+/m0/s1
InChIKey NXIFNLNXFPAWTO-LWILDLIXSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQ6CxclL8Oz
Name exo-Avarone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20+,21+/m0/s1
InChIKey NXIFNLNXFPAWTO-LWILDLIXSA-N
Molecular Weight 312.453 g/mol
SMILES [C@]1([C@]2([C@](C(=C)CCC2)(C)CC[C@@]1(C)[H])[H])(CC1=CC(=O)C=CC1=O)C
SPLASH splash10-0a4j-9400000000-7ac3bb734b127142c419
Source of Spectrum J-62-2831-25
Synonyms Isoavarone 2-((1R,2S,4aS,8aS)-1,2,4a-Trimethyl-5-methylene-decahydro-naphthalen-1-ylmethyl)-[1,4]benzoquinone 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-1,4-benzoquinone 2-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}benzo-1,4-quinone 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-p-benzoquinone 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione 2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione 2-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}benzo-1,4-quinone 2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-1,4-benzoquinone 2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione
Wiley ID 1313906