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(2S,12S)-2,12-Diacetoxytridecane
SpectraBase Compound ID HWIlISuz9EY
InChI InChI=1S/C17H32O4/c1-14(20-16(3)18)12-10-8-6-5-7-9-11-13-15(2)21-17(4)19/h14-15H,5-13H2,1-4H3/t14-,15-/m0/s1
InChIKey MFBCSZKSIATILU-GJZGRUSLSA-N
Mol Weight 300.4 g/mol
Molecular Formula C17H32O4
Exact Mass 300.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37qBnvuM64K
Name (2S,12S)-2,12-Diacetoxytridecane
Alternate Name(s) (1S,11S)-11-(acetyloxy)-1-methyldodecyl acetate Acetic acid [(2S,12S)-12-acetyloxytridecan-2-yl] ester [(2S,12S)-12-acetyloxytridecan-2-yl] acetate [(1S,11S)-11-acetoxy-1-methyl-dodecyl] acetate [(2S,12S)-12-acetyloxytridecan-2-yl] ethanoate
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Formula C17H32O4
InChI InChI=1S/C17H32O4/c1-14(20-16(3)18)12-10-8-6-5-7-9-11-13-15(2)21-17(4)19/h14-15H,5-13H2,1-4H3/t14-,15-/m0/s1
InChIKey MFBCSZKSIATILU-GJZGRUSLSA-N
Molecular Weight 300.439 g/mol
SMILES C(=O)(O[C@](CCCCCCCCC[C@@](OC(=O)C)(C)[H])(C)[H])C
SPLASH splash10-0006-9000000000-c06e7220b5f35a67550c
Source of Spectrum KD-13-792-49
Wiley ID 1635158