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1,2-Butanedione, 3,3-dimethyl-1-tricyclo[3.3.1.13,7]dec-1-yl-
SpectraBase Compound ID JJygJjgCos2
InChI InChI=1S/C16H24O2/c1-15(2,3)13(17)14(18)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-12H,4-9H2,1-3H3/t10-,11+,12?,16-
InChIKey LGWMOQKVWRHKQP-NJDVWXESSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4vNMcR6nXE
Name 1,2-Butanedione, 3,3-dimethyl-1-tricyclo[3.3.1.13,7]dec-1-yl-
Alternate Name(s) 1-(1'-Adamantyl)-3,3-dimethyl-1,2-butanedione 1-(1-adamantyl)-3,3-dimethyl-1,2-butanedione
CAS Registry Number 131273-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-15(2,3)13(17)14(18)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-12H,4-9H2,1-3H3/t10-,11+,12?,16-
InChIKey LGWMOQKVWRHKQP-NJDVWXESSA-N
Molecular Weight 248.366 g/mol
SMILES [C@]12(C(C(C(C)(C)C)=O)=O)CC3C[C@@](C2)(C[C@@](C1)(C3)[H])[H]
SPLASH splash10-000i-3900000000-82dec894bf7e22f2ced7
Source of Spectrum J-56-904-0
Wiley ID 1251662