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3-Phenyl-4-azahomoadamantane
SpectraBase Compound ID 8m1sR7MSoND
InChI InChI=1S/C16H21N/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-17-16/h1-5,12-14,17H,6-11H2/t12-,13+,14-,16+
InChIKey MKDFTJRFHMPWEN-UWOLEIRVSA-N
Mol Weight 227.35 g/mol
Molecular Formula C16H21N
Exact Mass 227.1674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8skXqMQrfp3
Name 3-Phenyl-4-azahomoadamantane
Alternate Name(s) 3-Phenyl-4-azatricyclo[4.3.1.1(3,8)]undecane
CAS Registry Number 76036-39-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N
InChI InChI=1S/C16H21N/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-17-16/h1-5,12-14,17H,6-11H2/t12-,13+,14-,16+
InChIKey MKDFTJRFHMPWEN-UWOLEIRVSA-N
Molecular Weight 227.351 g/mol
SMILES N1C[C@@]2(C[C@@]3(C[C@]1(C[C@](C2)(C3)[H])c1ccccc1)[H])[H]
SPLASH splash10-004i-2960000000-49f857b6fdc12fc3d745
Source of Spectrum J-46-880-0
Wiley ID 1228912