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Amorph-4-en-3,8-dione

View entire compound with spectra: 2 MS (GC)

Amorph-4-en-3,8-dione
SpectraBase Compound ID 4wBgqFro8Rz
InChI InChI=1S/C15H22O2/c1-8(2)15-12-5-10(4)13(16)7-11(12)9(3)6-14(15)17/h5,8-9,11-12,15H,6-7H2,1-4H3/t9-,11+,12+,15+/m1/s1
InChIKey CUTPLKRCZNTUMR-ZFVXVEAMSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cUrxNBrMlR
Name Amorph-4-en-3,8-dione
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 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-8(2)15-12-5-10(4)13(16)7-11(12)9(3)6-14(15)17/h5,8-9,11-12,15H,6-7H2,1-4H3/t9-,11+,12+,15+/m1/s1
InChIKey CUTPLKRCZNTUMR-ZFVXVEAMSA-N
Molecular Weight 234.339 g/mol
Number of Peaks 20
SMILES C1(C(=C[C@]2([C@@]([H])(C1)[C@@](CC([C@]2(C(C)C)[H])=O)(C)[H])[H])C)=O
SPLASH splash10-00kr-5910000000-1c1074d14742d50828f3
Source of Spectrum FF-12-392-55 (DOI: 10.1002_(SICI)1099-1026(199711_12)12_6_387)
Synonyms (1S,4R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,3,4,4a,5,8a-hexahydronaphthalene-2,6-dione (1S,4R,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-1,3,4,4a,5,8a-hexahydronaphthalene-2,6-dione
Wiley ID 1775155