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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 B4T0lucd8nQ
Name Hexabenzo[bc,ef,hi,kl,no,qr]coronene
Alternate Name(s) 1:12,2:3,4:5,6:7,8:9,10:11-Hexabenzocoronene
CAS Registry Number 190-24-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 522.606 g/mol
SMILES c1cc2c3c4c(c5cccc6c7cccc8c9cccc%10c%11c%12c%13c(c(c78)c(c4c%13c2c(c%12ccc%11)c1)c56)c9%10)ccc3
SPLASH splash10-0229-0080090000-4cc2a2cbda85a09ed642
Wiley ID 1492682