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1-(1-adamantyl)-2-methyl-3-oxidanyl-3-phenyl-propan-1-one
SpectraBase Compound ID I3LVDeg6K2p
InChI InChI=1S/C20H26O2/c1-13(18(21)17-5-3-2-4-6-17)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,13-16,18,21H,7-12H2,1H3/t13?,14-,15+,16-,18?,20-
InChIKey UTMGSMUZUXLPQE-MQLNMVKKSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CxpXjbmr4D
Name 1-(1-adamantyl)-2-methyl-3-oxidanyl-3-phenyl-propan-1-one
CAS Registry Number 72658-19-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-13(18(21)17-5-3-2-4-6-17)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,13-16,18,21H,7-12H2,1H3/t13?,14-,15+,16-,18?,20-
InChIKey UTMGSMUZUXLPQE-MQLNMVKKSA-N
Molecular Weight 298.426 g/mol
SMILES OC(C(C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)C)c1ccccc1
SPLASH splash10-004r-9700000000-9561716eb7e1a76d3973
Source of Spectrum J-45-1076-0
Synonyms 1-(1-adamantyl)-3-hydroxy-2-methyl-3-phenyl-1-propanone 1-(1-adamantyl)-3-hydroxy-2-methyl-3-phenyl-propan-1-one
Wiley ID 1301516