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3,4,5,6-Tetraphenyltricyclo[11.1.0.0(2,7)]tetradeca-2,4,6-triene

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3,4,5,6-Tetraphenyltricyclo[11.1.0.0(2,7)]tetradeca-2,4,6-triene
SpectraBase Compound ID 8fHirKatKkT
InChI InChI=1S/C38H34/c1-6-16-27(17-7-1)34-32-25-15-5-14-24-31-26-33(31)38(32)37(30-22-12-4-13-23-30)36(29-20-10-3-11-21-29)35(34)28-18-8-2-9-19-28/h1-4,6-13,16-23,31,33H,5,14-15,24-26H2
InChIKey ASWPCMGEPAQHKK-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C38H34
Exact Mass 490.266051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbQR53VukgY
Name 3,4,5,6-Tetraphenyltricyclo[11.1.0.0(2,7)]tetradeca-2,4,6-triene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.266051095 u
Formula C38H34
InChI InChI=1S/C38H34/c1-6-16-27(17-7-1)34-32-25-15-5-14-24-31-26-33(31)38(32)37(30-22-12-4-13-23-30)36(29-20-10-3-11-21-29)35(34)28-18-8-2-9-19-28/h1-4,6-13,16-23,31,33H,5,14-15,24-26H2
InChIKey ASWPCMGEPAQHKK-UHFFFAOYSA-N
Molecular Weight 490.690 g/mol
SMILES C12C3=C(C(=C(C(=C3CCCCCC1C2)C=1C=CC=CC1)C=1C=CC=CC1)C=1C=CC=CC1)C=1C=CC=CC1