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4-(1-Adamantyl)phenol

View entire compound with spectra: 2 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

4-(1-Adamantyl)phenol
SpectraBase Compound ID KJiH4DCyzBL
InChI InChI=1S/C16H20O/c17-15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,17H,5-10H2/t11-,12+,13-,16-
InChIKey KZMYFIUFUAOZHP-WTHWONHRSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1yvXhujAIT
Name 4-(1-Adamantyl)phenol
CAS Registry Number 29799-07-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O
InChI InChI=1S/C16H20O/c17-15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,17H,5-10H2/t11-,12+,13-,16-
InChIKey KZMYFIUFUAOZHP-WTHWONHRSA-N
Molecular Weight 228.335 g/mol
SMILES Oc1ccc(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])cc1
SPLASH splash10-00fr-4920000000-87a197bb4e055e185662
Synonyms NSC 111653
Wiley ID 1458025