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2-(1-Adamantyl)-4-methylphenol
SpectraBase Compound ID 1MkjlIQ4Vs8
InChI InChI=1S/C17H22O/c1-11-2-3-16(18)15(4-11)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14,18H,5-10H2,1H3/t12-,13+,14-,17-
InChIKey XHLJIHBDAJFXBE-ZZNDEYBLSA-N
Mol Weight 242.36 g/mol
Molecular Formula C17H22O
Exact Mass 242.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QCEhlpPSjg
Name Phenol, 4-methyl-2-tricyclo[3.3.1.1(3,7)]dec-1-yl-
Alternate Name(s) 2-(1-adamantyl)-4-methyl-phenol 2-Adamantan-1-yl-4-methyl-phenol
CAS Registry Number 41031-50-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O
InChI InChI=1S/C17H22O/c1-11-2-3-16(18)15(4-11)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14,18H,5-10H2,1H3/t12-,13+,14-,17-
InChIKey XHLJIHBDAJFXBE-ZZNDEYBLSA-N
Molecular Weight 242.362 g/mol
SMILES Oc1c(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])cc(cc1)C
SPLASH splash10-000f-4930000000-3c04b71787e7d20f6259
Source of Spectrum AD-0-2532-0
Wiley ID 1429122