| SpectraBase Spectrum ID |
ByOK5R1K3sj |
| Name |
Benzenecarbothioic acid, 3-nitro-, S-[2-(phenylseleno)-2-propylpentyl]ester |
| CAS Registry Number |
117157-06-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25NO3SSe |
| InChI |
InChI=1S/C21H25NO3SSe/c1-3-13-21(14-4-2,27-19-11-6-5-7-12-19)16-26-20(23)17-9-8-10-18(15-17)22(24)25/h5-12,15H,3-4,13-14,16H2,1-2H3 |
| InChIKey |
JFPOKGKOMXZAMP-UHFFFAOYSA-N |
| Molecular Weight |
450.467 g/mol |
| SMILES |
c1(N(=O)=O)cc(C(SCC([Se]c2ccccc2)(CCC)CCC)=O)ccc1 |
| SPLASH |
splash10-0w29-0910000000-8bf6cf8f17d9fd739a98 |
| Source of Spectrum |
KC-1988-579-2 |
| Synonyms |
S-2-phenylseleno-2-propylpentyl 3-nitro(thiobenzoate)
S-[2-(phenylselanyl)-2-propylpentyl]3-nitrobenzenecarbothioate |
| Wiley ID |
1387933 |
![Benzenecarbothioic acid, 3-nitro-, S-[2-(phenylseleno)-2-propylpentyl]ester](/api/spectrum/ByOK5R1K3sj/structure.png?h=300&w=458 "Benzenecarbothioic acid, 3-nitro-, S-[2-(phenylseleno)-2-propylpentyl]ester")
