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Naphtho(2,3-A)coronene

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Naphtho(2,3-A)coronene
SpectraBase Compound ID KMtXCyKm6iZ
InChI InChI=1S/C32H16/c1-2-4-22-16-26-24-14-12-20-10-8-18-6-5-17-7-9-19-11-13-23(25(26)15-21(22)3-1)31-29(19)27(17)28(18)30(20)32(24)31/h1-16H
InChIKey MRZSETIMOXAJGE-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C32H16
Exact Mass 400.125201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pf1Y8l7WPY
Name Naphtho(2,3-A)coronene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.125200515 u
Formula C32H16
InChI InChI=1S/C32H16/c1-2-4-22-16-26-24-14-12-20-10-8-18-6-5-17-7-9-19-11-13-23(25(26)15-21(22)3-1)31-29(19)27(17)28(18)30(20)32(24)31/h1-16H
InChIKey MRZSETIMOXAJGE-UHFFFAOYSA-N
Molecular Weight 400.480 g/mol
SMILES C1=2C3=C4C=CC5=C3C=3C=6C1=C(C=CC2C=1C4=CC=2C(C1)=CC=CC2)C=CC6C=CC3C=C5