| SpectraBase Spectrum ID |
JPZFYsfe3cK |
| Name |
(5R,6S)-5-Benzoyloxy-6-(benzoyloxymethyl)-2-(1,3-dithian -2-ylidene)octane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.174201854 u |
| Formula |
C27H32O4S2 |
| InChI |
InChI=1S/C27H32O4S2/c1-3-21(19-30-25(28)22-11-6-4-7-12-22)24(31-26(29)23-13-8-5-9-14-23)16-15-20(2)27-32-17-10-18-33-27/h4-9,11-14,21,24H,3,10,15-19H2,1-2H3/t21-,24+/m0/s1 |
| InChIKey |
LLXADNWVILUWJJ-XUZZJYLKSA-N |
| Molecular Weight |
484.669 g/mol |
| SMILES |
C1(=C(CC[C@@](OC(=O)C2=CC=CC=C2)([C@](COC(=O)C=2C=CC=CC2)(CC)[H])[H])C)SCCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874016 |
