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cis 1,1-Diacetyl-3-(3-ethoxycarbonyl-3-buten-1-yl)-4-p-toluenesulfonylmethyl-cyclopentane
SpectraBase Compound ID E7Dc5FeBEZb
InChI InChI=1S/C24H32O6S/c1-6-30-23(27)17(3)9-10-20-13-24(18(4)25,19(5)26)14-21(20)15-31(28,29)22-11-7-16(2)8-12-22/h7-8,11-12,20-21H,3,6,9-10,13-15H2,1-2,4-5H3/t20-,21-/m0/s1
InChIKey SNMJMAFGGNYANR-SFTDATJTSA-N
Mol Weight 448.6 g/mol
Molecular Formula C24H32O6S
Exact Mass 448.19196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BtiNF8baLe
Name cis 1,1-Diacetyl-3-(3-ethoxycarbonyl-3-buten-1-yl)-4-p-toluenesulfonylmethyl-cyclopentane
Alternate Name(s) Ethyl 2-[2-((1S,2R)-4,4-diacetyl-2-{[(4-methylphenyl)sulfonyl]methyl}cyclopentyl)ethyl]acrylate
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Formula C24H32O6S
InChI InChI=1S/C24H32O6S/c1-6-30-23(27)17(3)9-10-20-13-24(18(4)25,19(5)26)14-21(20)15-31(28,29)22-11-7-16(2)8-12-22/h7-8,11-12,20-21H,3,6,9-10,13-15H2,1-2,4-5H3/t20-,21-/m0/s1
InChIKey SNMJMAFGGNYANR-SFTDATJTSA-N
Molecular Weight 448.574 g/mol
SMILES C1(C[C@@](CS(c2ccc(cc2)C)(=O)=O)([C@](C1)(CCC(C(=O)OCC)=C)[H])[H])(C(=O)C)C(=O)C
SPLASH splash10-0006-8590300000-ef4d41b0dee2e3d14e45
Source of Spectrum F-47-5431-3
Wiley ID 1387140