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2-Benzyl-5-nitro-1-tosyl-1,2-dihydro-3H-indazol-3-one
SpectraBase Compound ID BQkOAyehGOr
InChI InChI=1S/C21H17N3O5S/c1-15-7-10-18(11-8-15)30(28,29)23-20-12-9-17(24(26)27)13-19(20)21(25)22(23)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKey WFUUTFQTKHXIAH-UHFFFAOYSA-N
Mol Weight 423.44 g/mol
Molecular Formula C21H17N3O5S
Exact Mass 423.088892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhIiMkW86pG
Name 2-Benzyl-5-nitro-1-tosyl-1,2-dihydro-3H-indazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.088891828 u
Formula C21H17N3O5S
InChI InChI=1S/C21H17N3O5S/c1-15-7-10-18(11-8-15)30(28,29)23-20-12-9-17(24(26)27)13-19(20)21(25)22(23)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKey WFUUTFQTKHXIAH-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 423.443 g/mol
Quality 81
SMILES C1(=CC=CC=C1)CN1N(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])S(C1=CC=C(C=C1)C)(=O)=O
SPLASH splash10-0006-9030000000-df0a3f9344c712fad76e
Source of Spectrum ES2614131A1
Wiley ID 1894574