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1,1'-[Carbonylbis(5-isopropyl-8-methylazulene-3,1-diyl)]bis[2,2-dimethylpropan-1-one]
SpectraBase Compound ID LIqMR3i9qtm
InChI InChI=1S/C39H46O3/c1-21(2)25-15-13-23(5)33-27(17-25)29(19-31(33)36(41)38(7,8)9)35(40)30-20-32(37(42)39(10,11)12)34-24(6)14-16-26(22(3)4)18-28(30)34/h13-22H,1-12H3
InChIKey XINZBNURGNSZSU-UHFFFAOYSA-N
Mol Weight 562.8 g/mol
Molecular Formula C39H46O3
Exact Mass 562.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID r47hbyiuw5
Name 1,1'-[Carbonylbis(5-isopropyl-8-methylazulene-3,1-diyl)]bis[2,2-dimethylpropan-1-one]
Alternate Name(s) 1,1'-(carbonylbis(5-isopropyl-8-methylazulene-3,1-diyl))bis(2,2-dimethylpropan-1-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H46O3
InChI InChI=1S/C39H46O3/c1-21(2)25-15-13-23(5)33-27(17-25)29(19-31(33)36(41)38(7,8)9)35(40)30-20-32(37(42)39(10,11)12)34-24(6)14-16-26(22(3)4)18-28(30)34/h13-22H,1-12H3
InChIKey XINZBNURGNSZSU-UHFFFAOYSA-N
Molecular Weight 562.794 g/mol
SMILES C(c1cc(c2c(ccc(C(C)C)cc12)C)C(C(C)(C)C)=O)(c1cc(c2c(ccc(cc12)C(C)C)C)C(C(C)(C)C)=O)=O
SPLASH splash10-0a4r-0070090000-377fba9cfd7a32d1b30d
Source of Spectrum H-93-1562-4d
Wiley ID 1784073