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JSBZATIFKFDKIK-PSASIEDQSA-N
SpectraBase Compound ID 30jmF9JCMMH
InChI InChI=1S/C13H21ClN2O3/c1-12(2)6-9(17)16-10(11(18)19-5)8(7-15(12)16)13(3,4)14/h8,10H,6-7H2,1-5H3/t8-,10-/m1/s1
InChIKey JSBZATIFKFDKIK-PSASIEDQSA-N
Mol Weight 288.77 g/mol
Molecular Formula C13H21ClN2O3
Exact Mass 288.12407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFvM6ND3h8t
Name TRANS-2-(1-CHLORO-1-METHYLETHYL)-TETRAHYDRO-5,5-DIMETHYL-7-OXO-1H,5H-PYRAZOLO-[1,2-A]-PYRAZOLE-1-CARBOXYLIC-ACID-METHYLESTER
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21ClN2O3
InChI InChI=1S/C13H21ClN2O3/c1-12(2)6-9(17)16-10(11(18)19-5)8(7-15(12)16)13(3,4)14/h8,10H,6-7H2,1-5H3/t8-,10-/m1/s1
InChIKey JSBZATIFKFDKIK-PSASIEDQSA-N
Literature Reference Author F.P.J.T.RUTJES,J.H.UDDING,H.HIEMSTRA,W.N.SPECKAMP
Literature Reference Citation REC.TR.CH.P.-B.,113,145(1994)
Literature Reference DOI 10.1002/recl.19941130304
Molecular Weight 288.774 g/mol
Solvent CDCl3
Source File Reference UWRK301