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6-Benzo[1,3]dioxol-5-yl-5-(4-chloro-phenyl)-2-methyl-1,2,5,6-tetrahydro-[1,2,4,5]tetrazine-3-carboxylic acid ethyl ester
SpectraBase Compound ID Dt6FcivgHYR
InChI InChI=1S/C19H19ClN4O4/c1-3-26-19(25)18-22-24(14-7-5-13(20)6-8-14)17(21-23(18)2)12-4-9-15-16(10-12)28-11-27-15/h4-10,17,21H,3,11H2,1-2H3
InChIKey UOEGVGDSZSTUHF-UHFFFAOYSA-N
Mol Weight 402.84 g/mol
Molecular Formula C19H19ClN4O4
Exact Mass 402.109483 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaGzAMKSbiW
Name 6-Benzo[1,3]dioxol-5-yl-5-(4-chloro-phenyl)-2-methyl-1,2,5,6-tetrahydro-[1,2,4,5]tetrazine-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 6-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-methyl-1,2,5,6-tetrahydro-1,2,4,5-tetraazine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19ClN4O4
InChI InChI=1S/C19H19ClN4O4/c1-3-26-19(25)18-22-24(14-7-5-13(20)6-8-14)17(21-23(18)2)12-4-9-15-16(10-12)28-11-27-15/h4-10,17,21H,3,11H2,1-2H3
InChIKey UOEGVGDSZSTUHF-UHFFFAOYSA-N
Molecular Weight 402.838 g/mol
SMILES N1N(C(=NN(C1c1cc2OCOc2cc1)c1ccc(cc1)Cl)C(=O)OCC)C
SPLASH splash10-01ow-4920000000-0630c57a32f2cb390f75
Wiley ID 1437403