| SpectraBase Spectrum ID |
5VCgq7ocvCU |
| Name |
5-Hexen-2-ol, 1-(benzoyloxy)-3-phthalimido-2-o-(imidazolylthiocarbonyl)-, (2R,3S)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
475.120191957 u |
| Formula |
C25H21N3O5S |
| InChI |
InChI=1S/C25H21N3O5S/c1-2-8-20(28-22(29)18-11-6-7-12-19(18)23(28)30)21(33-25(34)27-14-13-26-16-27)15-32-24(31)17-9-4-3-5-10-17/h2-7,9-14,16,20-21H,1,8,15H2 |
| InChIKey |
SSXUBDGECZPEAT-UHFFFAOYSA-N |
| Molecular Weight |
475.519 g/mol |
| SMILES |
C12=CC=CC=C2C(=O)N(C1=O)C(CC=C)C(OC(=S)N1C=CN=C1)COC(=O)C1=CC=CC=C1 |
