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(4b.alpha.,9a.alpha.,10.beta.)-9.alpha.-Benzyl-10-phenyl-4b,9,9a,10-tetrahydroindeno[1,2-a] inden-9-one
SpectraBase Compound ID LRi6RwS1nJ3
InChI InChI=1S/C29H22O/c30-28-25-18-10-9-17-24(25)27-23-16-8-7-15-22(23)26(21-13-5-2-6-14-21)29(27,28)19-20-11-3-1-4-12-20/h1-18,26-27H,19H2/t26-,27-,29-/m0/s1
InChIKey JWCIUCXGASZYIU-YCVJPRETSA-N
Mol Weight 386.49 g/mol
Molecular Formula C29H22O
Exact Mass 386.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Xq7a1J0lok
Name (4B.alpha.,9A.alpha.,10.beta.)-9.alpha.-Benzyl-10-phenyl-4B,9,9A,10-tetrahydroindeno[1,2-A] inden-9-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.167065327 u
Formula C29H22O
InChI InChI=1S/C29H22O/c30-28-25-18-10-9-17-24(25)27-23-16-8-7-15-22(23)26(21-13-5-2-6-14-21)29(27,28)19-20-11-3-1-4-12-20/h1-18,26-27H,19H2/t26-,27-,29-/m0/s1
InChIKey JWCIUCXGASZYIU-YCVJPRETSA-N
Molecular Weight 386.494 g/mol
SMILES [C@@]12([C@@](C=3C=CC=CC3[C@@]2(C2=CC=CC=C2)[H])(C=2C=CC=CC2C1=O)[H])CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922602