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2-(2-Methylphenyl)adamantane
SpectraBase Compound ID ClGtPwScV8W
InChI InChI=1S/C17H22/c1-11-4-2-3-5-16(11)17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3/t12-,13?,14-,15+,17-
InChIKey VZOUAVQIZLTWJM-ZPJOYQGVSA-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 1Bp3Fg5uSQC
Name 2-(2-Methylphenyl)adamantane
CAS Registry Number 115942-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22
InChI InChI=1S/C17H22/c1-11-4-2-3-5-16(11)17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3/t12-,13?,14-,15+,17-
InChIKey VZOUAVQIZLTWJM-ZPJOYQGVSA-N
Molecular Weight 226.363 g/mol
SMILES [C@]1([C@@]2(CC3C[C@]1(C[C@@](C3)(C2)[H])[H])[H])(c1c(C)cccc1)[H]
SPLASH splash10-004i-9780000000-cd80d6d40e62015db936
Source of Spectrum J-53-5144-1
Synonyms 2-(o-tolyl)adamantane
Wiley ID 1228291