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1-Benzyladamantane
SpectraBase Compound ID 5RkixQZEvMG
InChI InChI=1S/C17H22/c1-2-4-13(5-3-1)9-17-10-14-6-15(11-17)8-16(7-14)12-17/h1-5,14-16H,6-12H2/t14-,15+,16-,17+
InChIKey OFLIQILVJSTLDM-WNKDZCFJSA-N
Mol Weight 226.36 g/mol
Molecular Formula C17H22
Exact Mass 226.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqandgHJyNG
Name 1-Benzyladamantane
Alternate Name(s) 1-(Phenylmethyl)adamantane Tricyclo[3.3.1.1(3,7)]decane, 1-(phenylmethyl)-
CAS Registry Number 7131-11-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22
InChI InChI=1S/C17H22/c1-2-4-13(5-3-1)9-17-10-14-6-15(11-17)8-16(7-14)12-17/h1-5,14-16H,6-12H2/t14-,15+,16-,17+
InChIKey OFLIQILVJSTLDM-WNKDZCFJSA-N
Molecular Weight 226.363 g/mol
SMILES C1[C@]2(C[C@]3(C[C@@]1(CC(C3)(C2)Cc1ccccc1)[H])[H])[H]
SPLASH splash10-000i-6900000000-35759596b98ea276a021
Wiley ID 1496576