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(1S,3aS,4R,8aS)-1,7-dimethyl-4-propan-2-yl-1,3,3a,4,5,8a-hexahydroazulene-2,6-dione

View entire compound with spectra: 1 MS (GC)

(1S,3aS,4R,8aS)-1,7-dimethyl-4-propan-2-yl-1,3,3a,4,5,8a-hexahydroazulene-2,6-dione
SpectraBase Compound ID Fc7HLNN0JVF
InChI InChI=1S/C15H22O2/c1-8(2)11-6-14(16)9(3)5-12-10(4)15(17)7-13(11)12/h5,8,10-13H,6-7H2,1-4H3/t10-,11+,12-,13-/m0/s1
InChIKey ROSDDZANWHTUAA-RNJOBUHISA-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 GPgMNkIMS9O
Name (1S,3aS,4R,8aS)-1,7-dimethyl-4-propan-2-yl-1,3,3a,4,5,8a-hexahydroazulene-2,6-dione
CAS Registry Number 119748-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-8(2)11-6-14(16)9(3)5-12-10(4)15(17)7-13(11)12/h5,8,10-13H,6-7H2,1-4H3/t10-,11+,12-,13-/m0/s1
InChIKey ROSDDZANWHTUAA-RNJOBUHISA-N
Molecular Weight 234.339 g/mol
SMILES [C@]12([C@]([C@](CC(C(=C2)C)=O)(C(C)C)[H])(CC([C@]1(C)[H])=O)[H])[H]
SPLASH splash10-014r-4910000000-e761e5817eae9cbc7d57
Source of Spectrum J-54-2255-1
Synonyms (1S,3aS,4R,8aS)-4-isopropyl-1,7-dimethyl-1,3,3a,4,5,8a-hexahydroazulene-2,6-dione (1S,3aS,4R,8aS)-4-isopropyl-1,7-dimethyl-1,3,3a,4,5,8a-hexahydroazulene-2,6-quinone
Wiley ID 1236423