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1-(o-Tolyl)adamantane
SpectraBase Compound ID Ljom8HQqPzF
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
InChIKey WVOPSKXMUDUNBF-UHFFFAOYSA-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 LjOvd31cq4M
Name 1-(o-Tolyl)adamantane
Appearance White solid
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
InChIKey WVOPSKXMUDUNBF-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202001326
Molecular Weight 226.363 g/mol
Reported Formula C17H22
SMILES c1cccc(c1C)C12CC3CC(CC(C3)C1)C2
SPLASH splash10-016r-2930000000-ce11e69aff7d52a2cc69
Source of Spectrum ACI-59-SM24-12a
Thin-Layer Chromatography Rf = 0.55 (hexane)
Wiley ID 1857869