| SpectraBase Spectrum ID |
72mRBCjKRJz |
| Name |
Thiocyanic acid, 2,2-dimethyl-1-(1-methyl-5-nitro-1H-pyrrol-2-yl)propyl ester |
| CAS Registry Number |
115975-80-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H15N3O2S |
| InChI |
InChI=1S/C11H15N3O2S/c1-11(2,3)10(17-7-12)8-5-6-9(13(8)4)14(15)16/h5-6,10H,1-4H3 |
| InChIKey |
HPAPNCXSOLILNG-UHFFFAOYSA-N |
| Molecular Weight |
253.320 g/mol |
| SMILES |
c1([n](c(C(C(C)(C)C)SC#N)cc1)C)N(=O)=O |
| SPLASH |
splash10-052g-9400000000-71222d90c72e46b0a5a3 |
| Source of Spectrum |
B-40-2081-5 |
| Synonyms |
2,2-Dimethyl-1-(1-methyl-5-nitro-1H-pyrrol-2-yl)propyl thiocyanate
2-(2',2'-Dimethyl-1'-S-thiocyanatopropyl)-1-methyl-5-nitro-1H-pyrrole |
| Wiley ID |
1256596 |
