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1,2-Bis(1,1-dimethyl-2,2,2-trichloro-ethoxycarbonyl)-3,5-dimethyl-6-phenylaminocarbonyl-tetrahydro-tetrazine

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1,2-Bis(1,1-dimethyl-2,2,2-trichloro-ethoxycarbonyl)-3,5-dimethyl-6-phenylaminocarbonyl-tetrahydro-tetrazine
SpectraBase Compound ID 7BiD6M6td85
InChI InChI=1S/C21H25Cl6N5O5/c1-12-14(15(33)28-13-10-8-7-9-11-13)31(16(34)36-18(2,3)20(22,23)24)32(30(6)29-12)17(35)37-19(4,5)21(25,26)27/h7-11,14H,1-6H3,(H,28,33)
InChIKey LKHMUMQLDCHVFK-UHFFFAOYSA-N
Mol Weight 640.2 g/mol
Molecular Formula C21H25Cl6N5O5
Exact Mass 636.998685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AriE8NkunCt
Name 1,2-Bis(1,1-dimethyl-2,2,2-trichloro-ethoxycarbonyl)-3,5-dimethyl-6-phenylaminocarbonyl-tetrahydro-tetrazine
CAS Registry Number 71700-37-3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H25Cl6N5O5
InChI InChI=1S/C21H25Cl6N5O5/c1-12-14(15(33)28-13-10-8-7-9-11-13)31(16(34)36-18(2,3)20(22,23)24)32(30(6)29-12)17(35)37-19(4,5)21(25,26)27/h7-11,14H,1-6H3,(H,28,33)
InChIKey LKHMUMQLDCHVFK-UHFFFAOYSA-N
Literature Reference S. Sommer, U. Schubert, Angew. Chem. 91, 757 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3