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2-(1-Adamantyl)-1,3-diphenyl-1,3-propanedione

View entire compound with spectra: 2 MS (GC)

2-(1-Adamantyl)-1,3-diphenyl-1,3-propanedione
SpectraBase Compound ID 92zGQUOxkIi
InChI InChI=1S/C25H26O2/c26-23(20-7-3-1-4-8-20)22(24(27)21-9-5-2-6-10-21)25-14-17-11-18(15-25)13-19(12-17)16-25/h1-10,17-19,22H,11-16H2/t17-,18+,19-,25-
InChIKey WIGOPLGXGUEKCE-DXSJEHQWSA-N
Mol Weight 358.48 g/mol
Molecular Formula C25H26O2
Exact Mass 358.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5bkkzFT6h8
Name 2-(1-Adamantyl)-1,3-diphenyl-1,3-propanedione
Alternate Name(s) 2-(1-adamantyl)-1,3-diphenyl-propane-1,3-dione Propane-1,3-dione, 2-(1-adamantyl)-1,3-diphenyl-
CAS Registry Number 102402-86-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O2
InChI InChI=1S/C25H26O2/c26-23(20-7-3-1-4-8-20)22(24(27)21-9-5-2-6-10-21)25-14-17-11-18(15-25)13-19(12-17)16-25/h1-10,17-19,22H,11-16H2/t17-,18+,19-,25-
InChIKey WIGOPLGXGUEKCE-DXSJEHQWSA-N
Molecular Weight 358.481 g/mol
SMILES C12(C(C(=O)c3ccccc3)C(=O)c3ccccc3)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-0a6r-5900000000-8121f422a0b71907d7e8
Source of Spectrum F-42-4256-4
Wiley ID 1347489