| SpectraBase Spectrum ID |
JGdl009pAqx |
| Name |
(4S,6S)-4-Benzoylthiododec-6-yl benzoate |
| Alternate Name(s) |
(1S)-1-[(2S)-2-(benzoylsulfanyl)pentyl]heptyl 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 |
| Wiley ID |
1636928 |
