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Glutaric acid, 2-norbornyl hex-4-yn-3-yl ester
SpectraBase Compound ID BCX9itWtboK
InChI InChI=1S/C18H26O4/c1-3-6-15(4-2)21-17(19)7-5-8-18(20)22-16-12-13-9-10-14(16)11-13/h13-16H,4-5,7-12H2,1-2H3/t13-,14+,15?,16-/m0/s1
InChIKey QIOXUKQQTORIAU-QXULXFAOSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IB9fApdbt5I
Name Glutaric acid, 2-norbornyl hex-4-yn-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 306.183109313 u
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-3-6-15(4-2)21-17(19)7-5-8-18(20)22-16-12-13-9-10-14(16)11-13/h13-16H,4-5,7-12H2,1-2H3/t13-,14+,15?,16-/m0/s1
InChIKey QIOXUKQQTORIAU-QXULXFAOSA-N
Molecular Weight 306.402 g/mol
SMILES C(CCC(OC(CC)C#CC)=O)C(O[C@]1(C[C@]2(CC[C@@]1(C2)[H])[H])[H])=O