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3,6-Pyridazinedicarboxylic acid, 5-(1,3-dimethyl-1H-indol-2-yl)-1,4-dihydro-4-methyl-, dimethyl ester
SpectraBase Compound ID 4f1rrhy30Tj
InChI InChI=1S/C19H21N3O4/c1-10-12-8-6-7-9-13(12)22(3)17(10)14-11(2)15(18(23)25-4)20-21-16(14)19(24)26-5/h6-9,11,21H,1-5H3
InChIKey KTXDQAFKFMXZTC-UHFFFAOYSA-N
Mol Weight 355.39 g/mol
Molecular Formula C19H21N3O4
Exact Mass 355.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wIYEVC4Phr
Name 3,6-Pyridazinedicarboxylic acid, 5-(1,3-dimethyl-1H-indol-2-yl)-1,4-dihydro-4-methyl-, dimethyl ester
Alternate Name(s) Dimethyl 1,4-dihydro-5-[1,3-dimethylindol-2-yl]-4-methylpyridazine-3,6-dicarboxylate dimethyl 5-(1,3-dimethyl-1H-indol-2-yl)-4-methyl-1,4-dihydro-3,6-pyridazinedicarboxylate
CAS Registry Number 121470-92-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N3O4
InChI InChI=1S/C19H21N3O4/c1-10-12-8-6-7-9-13(12)22(3)17(10)14-11(2)15(18(23)25-4)20-21-16(14)19(24)26-5/h6-9,11,21H,1-5H3
InChIKey KTXDQAFKFMXZTC-UHFFFAOYSA-N
Molecular Weight 355.394 g/mol
SMILES N1N=C(C(C(=C1C(=O)OC)c1[n](c2ccccc2c1C)C)C)C(=O)OC
SPLASH splash10-001i-9000000000-6432ac46afb45eebd89f
Source of Spectrum H-72-71-7
Wiley ID 1345229