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2,6-Diphenyl-4-B9C3-pyrilium perchlorate

View entire compound with spectra: 1 MS (GC)

2,6-Diphenyl-4-B9C3-pyrilium perchlorate
SpectraBase Compound ID ApUQaasZVfC
InChI InChI=1S/C27H23O4.ClH3O4/c1-3-7-20(8-4-1)25-18-23(19-26(31-25)21-9-5-2-6-10-21)22-11-12-24-27(17-22)30-16-14-28-13-15-29-24;2-1(3,4)5/h1-12,17-19H,13-16H2;1H,(H2,2,3,4,5)/q+1;/p-2
InChIKey RTLKAINGBHPKRE-UHFFFAOYSA-L
Mol Weight 510.93 g/mol
Molecular Formula C27H23ClO8
Exact Mass 510.108145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34Iln68r00G
Name 2,6-Diphenyl-4-B9C3-pyrilium perchlorate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23ClO8
InChI InChI=1S/C27H23O4.ClH3O4/c1-3-7-20(8-4-1)25-18-23(19-26(31-25)21-9-5-2-6-10-21)22-11-12-24-27(17-22)30-16-14-28-13-15-29-24;2-1(3,4)5/h1-12,17-19H,13-16H2;1H,(H2,2,3,4,5)/q+1;/p-2
InChIKey RTLKAINGBHPKRE-UHFFFAOYSA-L
Molecular Weight 510.926 g/mol
SMILES c1([o+]c(cc(c1)-c1cc2OCCOCCOc2cc1)-c1ccccc1)-c1ccccc1.[Cl]([O-])([O-])(=O)=O
SPLASH splash10-0pvi-2940000000-0377bacbdd5a048685f8
Source of Spectrum J-67-2073-3
Wiley ID 1569335