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(4S,6S)-4-Benzoylthiododec-6-yl benzoate
SpectraBase Compound ID 2Q1DnLVmJSt
InChI InChI=1S/C26H34O3S/c1-3-5-6-13-19-23(29-25(27)21-15-9-7-10-16-21)20-24(14-4-2)30-26(28)22-17-11-8-12-18-22/h7-12,15-18,23-24H,3-6,13-14,19-20H2,1-2H3/t23-,24-/m0/s1
InChIKey OAAZNDWNWPIRSY-ZEQRLZLVSA-N
Mol Weight 426.6 g/mol
Molecular Formula C26H34O3S
Exact Mass 426.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGdl009pAqx
Name (4S,6S)-4-Benzoylthiododec-6-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O3S
InChI InChI=1S/C26H34O3S/c1-3-5-6-13-19-23(29-25(27)21-15-9-7-10-16-21)20-24(14-4-2)30-26(28)22-17-11-8-12-18-22/h7-12,15-18,23-24H,3-6,13-14,19-20H2,1-2H3/t23-,24-/m0/s1
InChIKey OAAZNDWNWPIRSY-ZEQRLZLVSA-N
Molecular Weight 426.615 g/mol
SMILES C(S[C@](C[C@@](OC(=O)c1ccccc1)(CCCCCC)[H])(CCC)[H])(=O)c1ccccc1
SPLASH splash10-0a4i-1910000000-718b901a5d9eb7263fcf
Source of Spectrum KD-16-904-11
Synonyms (1S)-1-[(2S)-2-(benzoylsulfanyl)pentyl]heptyl benzoate
Wiley ID 1636928