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1H-pyrazole-4-carbonitrile, 5-[(1,3-benzodioxol-5-ylmethyl)amino]-
SpectraBase Compound ID 2jbipN7Of5Q
InChI InChI=1S/C12H10N4O2/c13-4-9-6-15-16-12(9)14-5-8-1-2-10-11(3-8)18-7-17-10/h1-3,6H,5,7H2,(H2,14,15,16)
InChIKey QWZFMWVHODUYLO-UHFFFAOYSA-N
Mol Weight 242.24 g/mol
Molecular Formula C12H10N4O2
Exact Mass 242.080376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FntJw0MU4Yk
Name 1H-Pyrazole-4-carbonitrile, 5-[(1,3-benzodioxol-5-ylmethyl)amino]-
Alternate Name(s) 5-(1,3-benzodioxol-5-ylmethylamino)-1H-pyrazole-4-carbonitrile 5-(piperonylamino)-1H-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N4O2
InChI InChI=1S/C12H10N4O2/c13-4-9-6-15-16-12(9)14-5-8-1-2-10-11(3-8)18-7-17-10/h1-3,6H,5,7H2,(H2,14,15,16)
InChIKey QWZFMWVHODUYLO-UHFFFAOYSA-N
Molecular Weight 242.238 g/mol
SMILES [nH]1c(c(cn1)C#N)NCc1cc2c(cc1)OCO2
SPLASH splash10-000i-9710000000-52dd289b623b3e524a71
Wiley ID 1449763