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(1R,8R,9R)-5-(2-Diphenylphosphanyl-phenyl)-8,10,10-trimethyl-6-aza-tricyclo[7.1.1.0*2,7*]undeca-2(7),3,5-triene
SpectraBase Compound ID 26Pezcy9kSU
InChI InChI=1S/C31H30NP/c1-21-26-20-27(31(26,2)3)24-18-19-28(32-30(21)24)25-16-10-11-17-29(25)33(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-19,21,26-27H,20H2,1-3H3/t21-,26-,27+/m1/s1
InChIKey YMNXEINNYGBNMV-ZFWHIUCFSA-N
Mol Weight 447.56 g/mol
Molecular Formula C31H30NP
Exact Mass 447.211587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzqUGTUZ2ZV
Name (1R,8R,9R)-5-(2-Diphenylphosphanyl-phenyl)-8,10,10-trimethyl-6-aza-tricyclo[7.1.1.0*2,7*]undeca-2(7),3,5-triene
Alternate Name(s) (7R,8S,10S)-(+)-2-(2'-(Diphenylphosphino)phenyl]-7,11,11-trimethyl-1-azatricyclo[7.1.1.0(5,6)]undec-2,4,6-triene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H30NP
InChI InChI=1S/C31H30NP/c1-21-26-20-27(31(26,2)3)24-18-19-28(32-30(21)24)25-16-10-11-17-29(25)33(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-19,21,26-27H,20H2,1-3H3/t21-,26-,27+/m1/s1
InChIKey YMNXEINNYGBNMV-ZFWHIUCFSA-N
Molecular Weight 447.562 g/mol
SMILES c12nc(-c3c(P(c4ccccc4)c4ccccc4)cccc3)ccc1[C@]1(C([C@@]([C@]2(C)[H])(C1)[H])(C)C)[H]
SPLASH splash10-00di-0009100000-193c0577be448b9c6efd
Source of Spectrum J-73-4000-6
Wiley ID 1668171