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1-Phenyladamantane
SpectraBase Compound ID 108i5LXfuE6
InChI InChI=1S/C16H20/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14H,6-11H2/t12-,13+,14-,16-
InChIKey XACJBFHSZJWBBP-FXDBZKHDSA-N
Mol Weight 212.34 g/mol
Molecular Formula C16H20
Exact Mass 212.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKyPnwd5877
Name 1-Phenyladamantane
Alternate Name(s) (Adamantyl-1)benzene Tricyclo[3.3.1.1(3,7)]decane, 1-phenyl-
CAS Registry Number 780-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20
InChI InChI=1S/C16H20/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14H,6-11H2/t12-,13+,14-,16-
InChIKey XACJBFHSZJWBBP-FXDBZKHDSA-N
Molecular Weight 212.336 g/mol
SMILES c1(ccccc1)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]
SPLASH splash10-0bt9-1960000000-bf38ed48811c70c756c9
Source of Spectrum J-66-7325-7
Wiley ID 1568326