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3-(p-Toluyl)-4-azahomoadamantane
SpectraBase Compound ID 5GFQu5qHi9B
InChI InChI=1S/C17H23N/c1-12-2-4-16(5-3-12)17-9-13-6-14(10-17)8-15(7-13)11-18-17/h2-5,13-15,18H,6-11H2,1H3/t13-,14+,15-,17+
InChIKey JCGJBHIIGDXTTH-OOIBXKBGSA-N
Mol Weight 241.38 g/mol
Molecular Formula C17H23N
Exact Mass 241.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6zVUuEgaZX
Name 3-(p-Toluyl)-4-azahomoadamantane
Alternate Name(s) 3-(4-Methylphenyl)-4-azatricyclo[4.3.1.1(3,8)]undecane
CAS Registry Number 75470-72-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23N
InChI InChI=1S/C17H23N/c1-12-2-4-16(5-3-12)17-9-13-6-14(10-17)8-15(7-13)11-18-17/h2-5,13-15,18H,6-11H2,1H3/t13-,14+,15-,17+
InChIKey JCGJBHIIGDXTTH-OOIBXKBGSA-N
Molecular Weight 241.378 g/mol
SMILES N1C[C@]2(C[C@]3(C[C@]1(c1ccc(cc1)C)C[C@@](C2)(C3)[H])[H])[H]
SPLASH splash10-053g-0950000000-4b15ebce9f57c13407bf
Source of Spectrum J-46-880-0
Wiley ID 1244370