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4-[2-(1-adamantyl)-2-keto-ethyl]-2,3,4-triethoxy-cyclobut-2-en-1-one
SpectraBase Compound ID DIWLpZQhC7b
InChI InChI=1S/C22H32O5/c1-4-25-18-19(24)22(27-6-3,20(18)26-5-2)13-17(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h14-16H,4-13H2,1-3H3/t14-,15+,16-,21-,22?
InChIKey MQFWJFLNRPVEKQ-LAXHAECSSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bl3z9m0sILg
Name 4-[2-(1-adamantyl)-2-keto-ethyl]-2,3,4-triethoxy-cyclobut-2-en-1-one
Alternate Name(s) 4-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-2,3,4-triethoxy-cyclobut-2-en-1-one 4-[2-(1-adamantyl)-2-oxo-ethyl]-2,3,4-triethoxy-cyclobut-2-en-1-one 4-[2-(1-adamantyl)-2-oxoethyl]-2,3,4-triethoxy-1-cyclobut-2-enone
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Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-4-25-18-19(24)22(27-6-3,20(18)26-5-2)13-17(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h14-16H,4-13H2,1-3H3/t14-,15+,16-,21-,22?
InChIKey MQFWJFLNRPVEKQ-LAXHAECSSA-N
Molecular Weight 376.493 g/mol
SMILES C1(C(C(=C1OCC)OCC)=O)(CC(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])OCC
SPLASH splash10-000i-0906000000-9a8d389dc72f5d2609e1
Source of Spectrum SO-0-572-18
Wiley ID 1545609