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1-(3,4-XYLYL)ADAMANTANE
SpectraBase Compound ID 3y9XiDlceCz
InChI InChI=1S/C18H24/c1-12-3-4-17(5-13(12)2)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-5,14-16H,6-11H2,1-2H3/t14-,15+,16-,18-
InChIKey KXXQPTCMSHPHIX-CMIRHGDUSA-N
Mol Weight 240.39 g/mol
Molecular Formula C18H24
Exact Mass 240.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89rrbh1tus0
Name 1,2-Dimethyl-4-(adamantyl-1)benzene
Alternate Name(s) 1-(3,4-Dimethylphenyl)adamantane
CAS Registry Number 62133-11-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24
InChI InChI=1S/C18H24/c1-12-3-4-17(5-13(12)2)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-5,14-16H,6-11H2,1-2H3/t14-,15+,16-,18-
InChIKey KXXQPTCMSHPHIX-CMIRHGDUSA-N
Molecular Weight 240.390 g/mol
SMILES C12(c3cc(C)c(cc3)C)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]
SPLASH splash10-000x-0980000000-7427b71242664908bab0
Source of Spectrum SO-0-150-7
Wiley ID 875318