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2-(3-Methylphenyl)adamantane
SpectraBase Compound ID BBN0Mo0lc1n
InChI InChI=1S/C17H22/c1-11-3-2-4-14(5-11)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?/m1/s1
InChIKey DAQHMRKBAUZVPJ-NWPSFCPXSA-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 Jo6y01uIdL5
Name 2-(3-Methylphenyl)adamantane
CAS Registry Number 19214-04-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22
InChI InChI=1S/C17H22/c1-11-3-2-4-14(5-11)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?/m1/s1
InChIKey DAQHMRKBAUZVPJ-NWPSFCPXSA-N
Molecular Weight 226.363 g/mol
SMILES [C@]12(C(C3CC(C2)C[C@](C1)(C3)[H])c1cc(C)ccc1)[H]
SPLASH splash10-004i-7590000000-2e7666e4ecbea96f48b6
Source of Spectrum J-53-5144-1
Synonyms 2-(m-tolyl)adamantane
Wiley ID 1228292