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[(4S)-4-methyl-11-(2-methyl-1,3-dithian-2-yl)undecyl] methanesulfonate
SpectraBase Compound ID 9hpDnjzqrrW
InChI InChI=1S/C18H36O3S3/c1-17(12-9-14-21-24(3,19)20)11-7-5-4-6-8-13-18(2)22-15-10-16-23-18/h17H,4-16H2,1-3H3/t17-/m0/s1
InChIKey BTLFTGMVNVHMGG-KRWDZBQOSA-N
Mol Weight 396.7 g/mol
Molecular Formula C18H36O3S3
Exact Mass 396.182659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3CZF7CPSdq
Name [(4S)-4-methyl-11-(2-methyl-1,3-dithian-2-yl)undecyl] methanesulfonate
Appearance Color oil
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Formula C18H36O3S3
InChI InChI=1S/C18H36O3S3/c1-17(12-9-14-21-24(3,19)20)11-7-5-4-6-8-13-18(2)22-15-10-16-23-18/h17H,4-16H2,1-3H3/t17-/m0/s1
InChIKey BTLFTGMVNVHMGG-KRWDZBQOSA-N
Ionization Type EI
Molecular Weight 396.663 g/mol
Optical Rotation [a]D26 = 0.70 (c = 0.85, CHCl3)
SMILES C(CCC[C@@](CCCOS(=O)(=O)C)(C)[H])CCCC1(C)SCCCS1
SPLASH splash10-001i-0900000000-9e57c7a18ce111c12c63
Source of Spectrum CN101050211B
Wiley ID 1841417