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(5.alpha.,6.beta.,11.alpha.,12.beta.)-2,8-bis[(E)-2,2-dimethylpropylidene]-11,12-bis(4-methylphenyl)dispiro[4.0.4.2]dodecane-1,7-dione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(5.alpha.,6.beta.,11.alpha.,12.beta.)-2,8-bis[(E)-2,2-dimethylpropylidene]-11,12-bis(4-methylphenyl)dispiro[4.0.4.2]dodecane-1,7-dione
SpectraBase Compound ID 3AHtaYqJjum
InChI InChI=1S/C36H44O2/c1-23-9-13-25(14-10-23)29-30(26-15-11-24(2)12-16-26)36(20-18-28(32(36)38)22-34(6,7)8)35(29)19-17-27(31(35)37)21-33(3,4)5/h9-16,21-22,29-30H,17-20H2,1-8H3/b27-21+,28-22+/t29-,30-,35+,36+/m1/s1
InChIKey MPKFAUQZEPLWKS-AXGBQWAMSA-N
Mol Weight 508.7 g/mol
Molecular Formula C36H44O2
Exact Mass 508.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7Cd97thsqbI
Name (5.alpha.,6.beta.,11.alpha.,12.beta.)-2,8-bis[(E)-2,2-Dimethylpropylidene]-11,12-bis(4-methylphenyl)dispiro[4.0.4.2]dodecane-1,7-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.334130655 u
Formula C36H44O2
InChI InChI=1S/C36H44O2/c1-23-9-13-25(14-10-23)29-30(26-15-11-24(2)12-16-26)36(20-18-28(32(36)38)22-34(6,7)8)35(29)19-17-27(31(35)37)21-33(3,4)5/h9-16,21-22,29-30H,17-20H2,1-8H3/b27-21+,28-22+/t29-,30-,35+,36+/m1/s1
InChIKey MPKFAUQZEPLWKS-AXGBQWAMSA-N
Molecular Weight 508.746 g/mol
SMILES [C@]12([C@]3(C(\C(=C\C(C)(C)C)CC3)=O)[C@@]([C@]1(C1=CC=C(C=C1)C)[H])(C=1C=CC(=CC1)C)[H])C(\C(=C\C(C)(C)C)CC2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947543