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4-carbomethoxy-1-acetyladamantane
SpectraBase Compound ID Hax3s4nusGo
InChI InChI=1S/C14H20O3/c1-8(15)14-5-9-3-10(6-14)12(13(16)17-2)11(4-9)7-14/h9-12H,3-7H2,1-2H3/t9?,10-,11+,12+,14-
InChIKey JFWUZQLUEJWYFE-TWODSWQBSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QBtG3zfiMx
Name 4-carbomethoxy-1-acetyladamantane
CAS Registry Number 116002-40-5
Comments Less than 3 mono-isotopic peaks
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Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-8(15)14-5-9-3-10(6-14)12(13(16)17-2)11(4-9)7-14/h9-12H,3-7H2,1-2H3/t9?,10-,11+,12+,14-
InChIKey JFWUZQLUEJWYFE-TWODSWQBSA-N
Molecular Weight 236.311 g/mol
SMILES [C@]12(C[C@@]3(CC(C2)C[C@](C1)([C@@]3(C(=O)OC)[H])[H])[H])C(=O)C
SPLASH splash10-0006-0910000000-4198637069ca85834467
Source of Spectrum J-53-4373-14
Synonyms methyl 5-acetyl-2-adamantanecarboxylate
Wiley ID 1238405