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1-Benzylcorannulene

View entire compound with spectra: 1 MS (GC)

1-Benzylcorannulene
SpectraBase Compound ID BMjVWDohm9s
InChI InChI=1S/C27H16/c1-2-4-16(5-3-1)14-21-15-20-11-10-18-7-6-17-8-9-19-12-13-22(21)27-25(19)23(17)24(18)26(20)27/h1-13,15H,14H2
InChIKey WNKBBAXXVIMTOJ-UHFFFAOYSA-N
Mol Weight 340.43 g/mol
Molecular Formula C27H16
Exact Mass 340.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIss4JVkZ3n
Name 1-Benzylcorannulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H16
InChI InChI=1S/C27H16/c1-2-4-16(5-3-1)14-21-15-20-11-10-18-7-6-17-8-9-19-12-13-22(21)27-25(19)23(17)24(18)26(20)27/h1-13,15H,14H2
InChIKey WNKBBAXXVIMTOJ-UHFFFAOYSA-N
Molecular Weight 340.425 g/mol
SMILES c12c3c4c5ccc6c4c2c(cc6)ccc1cc(Cc1ccccc1)c3cc5
SPLASH splash10-03dl-0079000000-100a5170c48281dbe92b
Source of Spectrum J-67-6492-3
Wiley ID 1570773