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1H-Indazole-1-carboxylic acid, octahydro-3-oxo-, 2,2,2-trichloroethyl ester, cis-
SpectraBase Compound ID 5nzuZV9d7pW
InChI InChI=1S/C10H13Cl3N2O3/c11-10(12,13)5-18-9(17)15-7-4-2-1-3-6(7)8(16)14-15/h6-7H,1-5H2,(H,14,16)/t6-,7+/m0/s1
InChIKey BIZOPYDEVQTFMP-NKWVEPMBSA-N
Mol Weight 315.58 g/mol
Molecular Formula C10H13Cl3N2O3
Exact Mass 313.999175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4cEbcaWL6X
Name 1H-Indazole-1-carboxylic acid, octahydro-3-oxo-, 2,2,2-trichloroethyl ester, cis-
CAS Registry Number 56700-59-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13Cl3N2O3
InChI InChI=1S/C10H13Cl3N2O3/c11-10(12,13)5-18-9(17)15-7-4-2-1-3-6(7)8(16)14-15/h6-7H,1-5H2,(H,14,16)/t6-,7+/m0/s1
InChIKey BIZOPYDEVQTFMP-NKWVEPMBSA-N
Molecular Weight 315.584 g/mol
SMILES N1C([C@@]2([C@](N1C(OCC(Cl)(Cl)Cl)=O)(CCCC2)[H])[H])=O
SPLASH splash10-00lf-9600000000-a2099d91dba88bfc3c2e
Source of Spectrum J-40-3509-0
Synonyms 1-(2,2,2-Trichloroethoxycarbonyl)-cis-indazolidin-3-one 2,2,2-trichloroethyl (3aS,7aR)-3-oxooctahydro-1H-indazole-1-carboxylate
Wiley ID 1314588