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Tasmanone

View entire compound with spectra: 4 MS (GC)

Tasmanone
SpectraBase Compound ID C0359TKJgps
InChI InChI=1S/C14H20O4/c1-7(2)10(15)9-11(16)8(3)13(18-6)14(4,5)12(9)17/h7,9H,1-6H3
InChIKey WZXQWLWGLWIQGK-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cr0rD78WOJe
Name 1-Isobutyroyl-4-methoxy-3,5,5-trimethylcyclohex-3-en-2,6-dione
Classification M-benzoquinones
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 252.136159120 u
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-7(2)10(15)9-11(16)8(3)13(18-6)14(4,5)12(9)17/h7,9H,1-6H3
InChIKey WZXQWLWGLWIQGK-UHFFFAOYSA-N
Molecular Weight 252.310 g/mol
Number of Peaks 21
SMILES CC1(C)C(OC)=C(C)C(=O)C(C(=O)C(C)C)C1=O
SPLASH splash10-000i-0590000000-76994dd1274eb4b8a8e9
Source of Spectrum FF-12-183-183_3 (DOI: 10.1002_(SICI)1099-1026(199705)12_3_177)
Synonyms Tasmanone 2-Isobutyryl-5-methoxy-4,6,6-trimethylcyclohex-4-ene-1,3-dione 5-Methoxy-4,6,6-trimethyl-2-(2-methyl-1-oxopropyl)cyclohex-4-ene-1,3-dione 5-Methoxy-4,6,6-trimethyl-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
Wiley ID 1775130