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1-(anthracen-9-yl)-N-(((exo)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl)methyl)-N,N-dimethylmethanaminium chloride
SpectraBase Compound ID IBHEnSUib2s
InChI InChI=1S/C27H34NO.ClH/c1-26(2)21-13-14-27(26,25(29)16-21)18-28(3,4)17-24-22-11-7-5-9-19(22)15-20-10-6-8-12-23(20)24;/h5-12,15,21,25,29H,13-14,16-18H2,1-4H3;1H/q+1;/p-1/t21-,25+,27+;/m1./s1
InChIKey PXQOMKHNYJFABM-HLDRRWJRSA-M
Mol Weight 424.0 g/mol
Molecular Formula C27H34ClNO
Exact Mass 423.232892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3hHy5la6HP
Name 1-(anthracen-9-yl)-N-(((exo)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl)methyl)-N,N-dimethylmethanaminium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34ClNO
InChI InChI=1S/C27H34NO.ClH/c1-26(2)21-13-14-27(26,25(29)16-21)18-28(3,4)17-24-22-11-7-5-9-19(22)15-20-10-6-8-12-23(20)24;/h5-12,15,21,25,29H,13-14,16-18H2,1-4H3;1H/q+1;/p-1/t21-,25+,27+;/m1./s1
InChIKey PXQOMKHNYJFABM-HLDRRWJRSA-M
Literature Reference DOI 10.1002/cjoc.20010190617
Molecular Weight 424.028 g/mol
SMILES [Cl-].O[C@]1(C[C@]2(CC[C@@]1(C[N+](C)(C)Cc1c3c(cc4c1cccc4)cccc3)C2(C)C)[H])[H]
SPLASH splash10-052g-3900000000-1380f4b93e620c914911
Source of Spectrum CJC-19-633-2c
Synonyms 1-(anthracen-9-yl)-N-(((1R,2R,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl)methyl)-N,N-dimethylmethanaminium chloride
Wiley ID 1773588