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1-Tolyladamantane
SpectraBase Compound ID FvIGSpO6Iwj
InChI InChI=1S/C17H22/c1-12-4-2-3-5-16(12)17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3/t13-,14+,15-,17-
InChIKey WVOPSKXMUDUNBF-LTBQPASTSA-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 IDwutoehJHn
Name 1-Tolyladamantane
Appearance Colorless microcrystalline powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22
InChI InChI=1S/C17H22/c1-12-4-2-3-5-16(12)17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3/t13-,14+,15-,17-
InChIKey WVOPSKXMUDUNBF-LTBQPASTSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02917
Molecular Weight 226.363 g/mol
SMILES C1[C@]2(CC3(C[C@@]1(C[C@](C3)(C2)[H])[H])c1ccccc1C)[H]
SPLASH splash10-016r-3930000000-839d1cb377e0ebb9b7f7
Source of Spectrum JOC-86-4492-2a
Wiley ID 1867938