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2-Benzyl-1-cyanomethyl-5-nitro-1,2-dihydro-3H-indazol-3-one
SpectraBase Compound ID 5cT3cCLwkJC
InChI InChI=1S/C16H12N4O3/c17-8-9-18-15-7-6-13(20(22)23)10-14(15)16(21)19(18)11-12-4-2-1-3-5-12/h1-7,10H,9,11H2
InChIKey MUWMQFIVAHPYLK-UHFFFAOYSA-N
Mol Weight 308.3 g/mol
Molecular Formula C16H12N4O3
Exact Mass 308.09094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hyTEAqXrc
Name 2-Benzyl-1-cyanomethyl-5-nitro-1,2-dihydro-3H-indazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.090940259 u
Formula C16H12N4O3
InChI InChI=1S/C16H12N4O3/c17-8-9-18-15-7-6-13(20(22)23)10-14(15)16(21)19(18)11-12-4-2-1-3-5-12/h1-7,10H,9,11H2
InChIKey MUWMQFIVAHPYLK-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 308.297 g/mol
Quality 204
SMILES C1(=CC=CC=C1)CN1N(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC#N
SPLASH splash10-053r-0397000000-6d4d49c451e7b4da5ad8
Source of Spectrum ES2614131A1
Wiley ID 1894588