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3-(4-Ethyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)propanenitrile
SpectraBase Compound ID LIJTo61Ertq
InChI InChI=1S/C9H13N3O/c1-3-8-7(2)11-12(9(8)13)6-4-5-10/h13H,3-4,6H2,1-2H3
InChIKey AFBCCTOCJWPTPN-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C9H13N3O
Exact Mass 179.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ekVfPGrKr4
Name 3-(4-Ethyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)propanenitrile
Alternate Name(s) Propanenitrile, 3-(5-hydroxy-4-ethyl-3-methyl-1-pyrazolyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3O
InChI InChI=1S/C9H13N3O/c1-3-8-7(2)11-12(9(8)13)6-4-5-10/h13H,3-4,6H2,1-2H3
InChIKey AFBCCTOCJWPTPN-UHFFFAOYSA-N
Molecular Weight 179.223 g/mol
SMILES Oc1c(c(C)n[n]1CCC#N)CC
SPLASH splash10-000f-9400000000-3d41f603687e602d3c88
Source of Spectrum AD-0-2532-0
Wiley ID 1435668