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Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)-
SpectraBase Compound ID FRQAZYjhs61
InChI InChI=1S/C17H18O2/c18-16-11-7-12-9-15(16)13(14(8-11)17(12)19)6-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2/t11-,12-,14+,15+/m0/s1
InChIKey DCHNVBZXRZXTOZ-DDHJSBNISA-N
Mol Weight 254.33 g/mol
Molecular Formula C17H18O2
Exact Mass 254.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rxH69BAQeH
Name Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(phenylmethyl)-
Alternate Name(s) 4-Benzyl-2,6-adamantanedione 4-(Phenylmethyl)adamantane-2,6-dione 4-Benzyladamantane-2,6-dione 4-Benzyladamantane-2,6-quinone
CAS Registry Number 56781-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2
InChI InChI=1S/C17H18O2/c18-16-11-7-12-9-15(16)13(14(8-11)17(12)19)6-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2/t11-,12-,14+,15+/m0/s1
InChIKey DCHNVBZXRZXTOZ-DDHJSBNISA-N
Molecular Weight 254.329 g/mol
SMILES c1ccc(cc1)CC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3=O)[H])(C2=O)[H])[H])[H]
SPLASH splash10-0r2c-8930000000-dde9412f2b09f3e20521
Source of Spectrum EP-6359-0-0
Wiley ID 1258234