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Ethyl 3-(adamantan-1-yl)propiolate
SpectraBase Compound ID 4JKF1ab5Kgm
InChI InChI=1S/C15H20O2/c1-2-17-14(16)3-4-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2,5-10H2,1H3/t11-,12+,13-,15+
InChIKey VVSLCBMFWSDLIA-LAVKHLEISA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAZf4TKP8xf
Name Ethyl 3-(adamantan-1-yl)propiolate
Alternate Name(s) Ethyl 3-((3r,5r,7r)-adamantan-1-yl)propiolate 3-(1-adamantyl)-2-propynoic acid ethyl ester Ethyl 3-(1-adamantyl)prop-2-ynoate
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Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-2-17-14(16)3-4-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2,5-10H2,1H3/t11-,12+,13-,15+
InChIKey VVSLCBMFWSDLIA-LAVKHLEISA-N
Literature Reference DOI 10.1021/ol500781j
Molecular Weight 232.323 g/mol
SMILES C1[C@]2(C[C@]3(C[C@@]1(CC(C3)(C#CC(=O)OCC)C2)[H])[H])[H]
SPLASH splash10-0kw3-7960000000-952605b3498e59a9b172
Source of Spectrum A1-16-2418/SMS17-4t
Wiley ID 1749431