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2-Benzyl-1-(2-bromoethyl)-5-nitro-1,2-dihydro-3H-indazol-3-one
SpectraBase Compound ID F1UrExwTjvb
InChI InChI=1S/C16H14BrN3O3/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,8-9,11H2
InChIKey XSRKUZZNWWQNEZ-UHFFFAOYSA-N
Mol Weight 376.21 g/mol
Molecular Formula C16H14BrN3O3
Exact Mass 375.021854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fC9tMOtQ7o
Name 2-Benzyl-1-(2-bromoethyl)-5-nitro-1,2-dihydro-3H-indazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.021854320 u
Formula C16H14BrN3O3
InChI InChI=1S/C16H14BrN3O3/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,8-9,11H2
InChIKey XSRKUZZNWWQNEZ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 376.210 g/mol
Quality 282
SMILES C1(=CC=CC=C1)CN1N(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CCBr
SPLASH splash10-004i-0209000000-73b6824006cc434de8bd
Source of Spectrum ES2614131A1
Wiley ID 1894586