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Hexabenzo[bc,ef,hi,kl,no,qr]coronene
SpectraBase Compound ID 3C80HJ6eWvB
InChI InChI=1S/C42H18/c1-7-19-21-9-2-11-23-25-13-4-15-27-29-17-6-18-30-28-16-5-14-26-24-12-3-10-22-20(8-1)31(19)37-38(32(21)23)40(34(25)27)42(36(29)30)41(35(26)28)39(37)33(22)24/h1-18H
InChIKey IVJZBYVRLJZOOQ-UHFFFAOYSA-N
Mol Weight 522.6 g/mol
Molecular Formula C42H18
Exact Mass 522.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9USP0Kg3LAV
Name HEXABENZO[bc,ef,hi,kl,no,qr]CORONENE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H18
InChI InChI=1S/C42H18/c1-7-19-21-9-2-11-23-25-13-4-15-27-29-17-6-18-30-28-16-5-14-26-24-12-3-10-22-20(8-1)31(19)37-38(32(21)23)40(34(25)27)42(36(29)30)41(35(26)28)39(37)33(22)24/h1-18H
InChIKey IVJZBYVRLJZOOQ-UHFFFAOYSA-N
Instrument Name MAT95
Molecular Weight 522.1404
SMILES c12cccc3c4cccc5c4c4c(c6c7c8c4c4c5cccc4c4cccc(c5cccc(c75)c5cccc2c65)c84)c13
SPLASH splash10-0229-0080090000-d0c6a565fb251d01d7ad
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany