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9-Benzyl-1,2,3,4,5,6,7,8-octahydroanthracene

View entire compound with spectra: 1 FTIR

9-Benzyl-1,2,3,4,5,6,7,8-octahydroanthracene
SpectraBase Compound ID 6mpe9fwIsxl
InChI InChI=1S/C21H24/c1-2-8-16(9-3-1)14-21-19-12-6-4-10-17(19)15-18-11-5-7-13-20(18)21/h1-3,8-9,15H,4-7,10-14H2
InChIKey FPUIKDZRYQIZIZ-UHFFFAOYSA-N
Mol Weight 276.42 g/mol
Molecular Formula C21H24
Exact Mass 276.187801 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L3buaZzxyts
Name 9-Benzyl-1,2,3,4,5,6,7,8-octahydroanthracene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.187800773 u
Formula C21H24
InChI InChI=1S/C21H24/c1-2-8-16(9-3-1)14-21-19-12-6-4-10-17(19)15-18-11-5-7-13-20(18)21/h1-3,8-9,15H,4-7,10-14H2
InChIKey FPUIKDZRYQIZIZ-UHFFFAOYSA-N
Molecular Weight 276.423 g/mol
SMILES C12=C(C(=C3C(=C2)CCCC3)CC2=CC=CC=C2)CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810416