| SpectraBase Spectrum ID |
1g8i9c4SLkz |
| Name |
2-[3-(Phenylseleno)-4-tosyl-butyl]malonic acid dimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
498.061531725 u |
| Formula |
C22H26O6SSe |
| InChI |
InChI=1S/C22H26O6SSe/c1-16-9-11-17(12-10-16)29(25,26)15-19(30-18-7-5-4-6-8-18)13-14-20(21(23)27-2)22(24)28-3/h4-12,19-20H,13-15H2,1-3H3 |
| InChIKey |
ZIQXCRUDUUCHGJ-UHFFFAOYSA-N |
| Molecular Weight |
497.476 g/mol |
| SMILES |
C(S(C1=CC=C(C=C1)C)(=O)=O)C([Se]C=1C=CC=CC1)CCC(C(=O)OC)C(=O)OC |
![2-[3-(Phenylseleno)-4-tosyl-butyl]malonic acid dimethyl ester](/api/spectrum/1g8i9c4SLkz/structure.png?h=300&w=458 "2-[3-(Phenylseleno)-4-tosyl-butyl]malonic acid dimethyl ester")
