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1,2-Diphenyltricyclo[3.1.0.0(2,4)]hexane
SpectraBase Compound ID EZ7wUY8KX5b
InChI InChI=1S/C18H16/c1-3-7-13(8-4-1)17-11-15(17)16-12-18(16,17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey WVCJJZUUPYLMLJ-UHFFFAOYSA-N
Mol Weight 232.33 g/mol
Molecular Formula C18H16
Exact Mass 232.125201 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID YlNoGlPsgT
Name 1,2-Diphenyltricyclo[3.1.0.0(2,4)]hexane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.125200515 u
Formula C18H16
InChI InChI=1S/C18H16/c1-3-7-13(8-4-1)17-11-15(17)16-12-18(16,17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey WVCJJZUUPYLMLJ-UHFFFAOYSA-N
Molecular Weight 232.326 g/mol
SMILES C12(C3(CC3C1C2)C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978749