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1-[2-(1-Adamantyl)phenyl]adamantane

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

1-[2-(1-Adamantyl)phenyl]adamantane
SpectraBase Compound ID LxmhOXXwm4L
InChI InChI=1S/C26H34/c1-2-4-24(26-14-20-8-21(15-26)10-22(9-20)16-26)23(3-1)25-11-17-5-18(12-25)7-19(6-17)13-25/h1-4,17-22H,5-16H2
InChIKey DSISFFIKRUIPCD-UHFFFAOYSA-N
Mol Weight 346.6 g/mol
Molecular Formula C26H34
Exact Mass 346.266051 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5YlvtB2gdku
Name 1-[2-(1-Adamantyl)phenyl]adamantane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.266051095 u
Formula C26H34
InChI InChI=1S/C26H34/c1-2-4-24(26-14-20-8-21(15-26)10-22(9-20)16-26)23(3-1)25-11-17-5-18(12-25)7-19(6-17)13-25/h1-4,17-22H,5-16H2
InChIKey DSISFFIKRUIPCD-UHFFFAOYSA-N
Molecular Weight 346.558 g/mol
SMILES C12(C=3C(C45CC6CC(C5)CC(C4)C6)=CC=CC3)CC3CC(C2)CC(C1)C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97509