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4-[[(2R,4aS,8aS)-4-(1-carbomethoxyoxyvinyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]but-2-ynoic acid methyl ester
SpectraBase Compound ID 3DniFu4dC3N
InChI InChI=1S/C23H32O6/c1-15-17(28-13-8-10-19(24)26-6)14-18-22(3,4)11-9-12-23(18,5)20(15)16(2)29-21(25)27-7/h17-18H,2,9,11-14H2,1,3-7H3/t17-,18+,23+/m1/s1
InChIKey YBIXHWJAEYVZHW-STSQHVNTSA-N
Mol Weight 404.5 g/mol
Molecular Formula C23H32O6
Exact Mass 404.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GihrGntUOl
Name 4-[[(2R,4aS,8aS)-4-(1-carbomethoxyoxyvinyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]but-2-ynoic acid methyl ester
Alternate Name(s) 4-[[(2R,4aS,8aS)-4-(1-methoxycarbonyloxyethenyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]-2-butynoic acid methyl ester Methyl 4-[[(2R,4aS,8aS)-4-(1-methoxycarbonyloxyethenyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]but-2-ynoate Methyl 4-[[(2R,4aS,8aS)-4-(1-methoxycarbonyloxyvinyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]but-2-ynoate
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Formula C23H32O6
InChI InChI=1S/C23H32O6/c1-15-17(28-13-8-10-19(24)26-6)14-18-22(3,4)11-9-12-23(18,5)20(15)16(2)29-21(25)27-7/h17-18H,2,9,11-14H2,1,3-7H3/t17-,18+,23+/m1/s1
InChIKey YBIXHWJAEYVZHW-STSQHVNTSA-N
Molecular Weight 404.503 g/mol
SMILES C(C#CCO[C@@]1(C[C@@]2([C@@](C(=C1C)C(=C)OC(=O)OC)(CCCC2(C)C)C)[H])[H])(=O)OC
SPLASH splash10-004i-0009000000-40501517646cf9936856
Source of Spectrum KC-61-1967-22
Wiley ID 1627891