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3-Cyanotetrahydropyridazine-1-carboxylic acid benzyl ester
SpectraBase Compound ID JGNb1pDXDr0
InChI InChI=1S/C13H15N3O2/c14-9-12-7-4-8-16(15-12)13(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-8,10H2
InChIKey AKSROUZRGGKWBD-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C13H15N3O2
Exact Mass 245.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hw0jZlSEdf5
Name 3-Cyanotetrahydropyridazine-1-carboxylic acid benzyl ester
Alternate Name(s) benzyl 3-cyanotetrahydro-1(2H)-pyridazinecarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C13H15N3O2
InChI InChI=1S/C13H15N3O2/c14-9-12-7-4-8-16(15-12)13(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-8,10H2
InChIKey AKSROUZRGGKWBD-UHFFFAOYSA-N
Molecular Weight 245.282 g/mol
SMILES N1C(CCCN1C(OCc1ccccc1)=O)C#N
SPLASH splash10-0006-9000000000-e7cf88a864cdc6ff3fe6
Source of Spectrum O1-63-2383-4
Wiley ID 1592895