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2-benzyl-5-nitro-1-propargyl-1,2-dihydro-3H-indazol-3-one
SpectraBase Compound ID CCOrcqQeZVU
InChI InChI=1S/C17H13N3O3/c1-2-10-18-16-9-8-14(20(22)23)11-15(16)17(21)19(18)12-13-6-4-3-5-7-13/h1,3-9,11H,10,12H2
InChIKey NIUTVBDATQFASJ-UHFFFAOYSA-N
Mol Weight 307.31 g/mol
Molecular Formula C17H13N3O3
Exact Mass 307.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4lVwCg2myu
Name 2-benzyl-5-nitro-1-propargyl-1,2-dihydro-3H-indazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.095691288 u
Formula C17H13N3O3
InChI InChI=1S/C17H13N3O3/c1-2-10-18-16-9-8-14(20(22)23)11-15(16)17(21)19(18)12-13-6-4-3-5-7-13/h1,3-9,11H,10,12H2
InChIKey NIUTVBDATQFASJ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 307.309 g/mol
Quality 128
SMILES C1(=CC=CC=C1)CN1N(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC#C
SPLASH splash10-0a4i-0119000000-8341e1068c8481f26c8b
Source of Spectrum ES2614131A1
Wiley ID 1894583