SpectraBase Spectrum ID |
JjvaE5cnsSG |
Name |
1,2-Pyrazolidinedicarboxylic acid, 3,3-dimethyl-5-oxo-, 1-(1,1-dimethylethyl) 2-(2,2,2-trichloroethyl) ester |
CAS Registry Number |
130064-87-8 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C13H19Cl3N2O5 |
InChI |
InChI=1S/C13H19Cl3N2O5/c1-11(2,3)23-9(20)17-8(19)6-12(4,5)18(17)10(21)22-7-13(14,15)16/h6-7H2,1-5H3 |
InChIKey |
ZWCCODCYWOQCKF-UHFFFAOYSA-N |
Molecular Weight |
389.663 g/mol |
SMILES |
C1(N(N(C(C1)=O)C(OC(C)(C)C)=O)C(OCC(Cl)(Cl)Cl)=O)(C)C |
SPLASH |
splash10-0a4i-9050000000-abe8720c73c141080c81 |
Source of Spectrum |
J-55-6043-18 |
Synonyms |
1-tert-Butyl 2-(2,2,2-trichloroethyl) 3,3-dimethyl-5-oxo-1,2-pyrazolidinedicarboxylate
2-(tert-butoxycarbonyl)-5,5-dimethyl-1-(2,2,2-trichloro-ethoxycarbonyl)pyrazolidin-3-one |
Wiley ID |
1363572 |