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2-Ethyl-4-nitro-7-[1-(phenylsulfonyl)propyl]-2H-indazole
SpectraBase Compound ID LpUrLddop6R
InChI InChI=1S/C18H19N3O4S/c1-3-17(26(24,25)13-8-6-5-7-9-13)14-10-11-16(21(22)23)15-12-20(4-2)19-18(14)15/h5-12,17H,3-4H2,1-2H3
InChIKey BWNVNAZLHTZVGO-UHFFFAOYSA-N
Mol Weight 373.43 g/mol
Molecular Formula C18H19N3O4S
Exact Mass 373.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lMmvZMwDIM
Name 2-Ethyl-4-nitro-7-[1-(phenylsulfonyl)propyl]-2H-indazole
Appearance Yellow microcrystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N3O4S
InChI InChI=1S/C18H19N3O4S/c1-3-17(26(24,25)13-8-6-5-7-9-13)14-10-11-16(21(22)23)15-12-20(4-2)19-18(14)15/h5-12,17H,3-4H2,1-2H3
InChIKey BWNVNAZLHTZVGO-UHFFFAOYSA-N
Instrument Name AMD Intectra Mass AMD 402
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.816
Molecular Weight 373.427 g/mol
SMILES c1([N+](=O)[O-])c2c[n](CC)nc2c(C(CC)S(c2ccccc2)(=O)=O)cc1
SPLASH splash10-001i-0090000000-ec73c7367eba27927ccd
Source of Spectrum ARK-2012-183-22
Wiley ID 1864760