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(5a.alpha.,5b.beta.,10a.beta.,10b.alpha.)-5a,5b,10a,10b-Tetrahydro-3,8-dimethoxy-5a,10a-dimethylcyclobuta[1,2-a:3,4-a']diindene-5,10-dione

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(5a.alpha.,5b.beta.,10a.beta.,10b.alpha.)-5a,5b,10a,10b-Tetrahydro-3,8-dimethoxy-5a,10a-dimethylcyclobuta[1,2-a:3,4-a']diindene-5,10-dione
SpectraBase Compound ID Hjt9wEBFNKk
InChI InChI=1S/C22H20O4/c1-21-17(13-7-5-11(25-3)9-15(13)19(21)23)22(2)18(21)14-8-6-12(26-4)10-16(14)20(22)24/h5-10,17-18H,1-4H3/t17-,18-,21+,22+
InChIKey AAJQOEHDTMHTAD-LHKLFAJASA-N
Mol Weight 348.4 g/mol
Molecular Formula C22H20O4
Exact Mass 348.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KUhpwzoBDKb
Name (5A.alpha.,5B.beta.,10A.beta.,10B.alpha.)-5A,5B,10A,10B-Tetrahydro-3,8-dimethoxy-5A,10A-dimethylcyclobuta[1,2-A:3,4-A']diindene-5,10-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.136159120 u
Formula C22H20O4
InChI InChI=1S/C22H20O4/c1-21-17(13-7-5-11(25-3)9-15(13)19(21)23)22(2)18(21)14-8-6-12(26-4)10-16(14)20(22)24/h5-10,17-18H,1-4H3/t17-,18-,21+,22+
InChIKey AAJQOEHDTMHTAD-LHKLFAJASA-N
Molecular Weight 348.398 g/mol
SMILES [C@]12([C@@](C=3C=CC(=CC3C2=O)OC)([H])[C@@]2([C@]1(C1=C(C=C(C=C1)OC)C2=O)[H])C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9079