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2-(4-Methylphenyl)adamantane
SpectraBase Compound ID 1fdAK6nivsO
InChI InChI=1S/C17H22/c1-11-2-4-14(5-3-11)17-15-7-12-6-13(9-15)10-16(17)8-12/h2-5,12-13,15-17H,6-10H2,1H3/t12-,13?,15-,16?,17?/m0/s1
InChIKey IHKADZMLGALVBW-LJIVAXQVSA-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 JoEIYE97m4n
Name 2-(4-Methylphenyl)adamantane
CAS Registry Number 19066-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22
InChI InChI=1S/C17H22/c1-11-2-4-14(5-3-11)17-15-7-12-6-13(9-15)10-16(17)8-12/h2-5,12-13,15-17H,6-10H2,1H3/t12-,13?,15-,16?,17?/m0/s1
InChIKey IHKADZMLGALVBW-LJIVAXQVSA-N
Molecular Weight 226.363 g/mol
SMILES [C@]12(C(C3CC(C2)C[C@](C1)(C3)[H])c1ccc(cc1)C)[H]
SPLASH splash10-004i-8690000000-82bacc866f7dceb4e34c
Source of Spectrum J-53-5144-1
Synonyms 2-(p-tolyl)adamantane
Wiley ID 1228293