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4-(Acetylamino)-3-nitrophenyl 4-nitrobenzenesulfonate
SpectraBase Compound ID 2A3G7hH6O4Z
InChI InChI=1S/C14H11N3O8S/c1-9(18)15-13-7-4-11(8-14(13)17(21)22)25-26(23,24)12-5-2-10(3-6-12)16(19)20/h2-8H,1H3,(H,15,18)
InChIKey FHXBAIOMBIUGMI-UHFFFAOYSA-N
Mol Weight 381.32 g/mol
Molecular Formula C14H11N3O8S
Exact Mass 381.026685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0Vklu0jafe
Name 4-(Acetylamino)-3-nitrophenyl 4-nitrobenzenesulfonate
Alternate Name(s) (4-acetamido-3-nitro-phenyl) 4-nitrobenzenesulfonate 4-Nitrobenzenesulfonic acid (4-acetamido-3-nitro-phenyl) ester Acetamide, N-[2-nitro-4-(4-nitrophenylsulfonyloxy)phenyl]- 4-Nitrobenzenesulfonic acid (4-acetamido-3-nitrophenyl) ester
CAS Registry Number 329210-10-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11N3O8S
InChI InChI=1S/C14H11N3O8S/c1-9(18)15-13-7-4-11(8-14(13)17(21)22)25-26(23,24)12-5-2-10(3-6-12)16(19)20/h2-8H,1H3,(H,15,18)
InChIKey FHXBAIOMBIUGMI-UHFFFAOYSA-N
Molecular Weight 381.315 g/mol
SMILES N(c1ccc(cc1N(=O)=O)OS(c1ccc(N(=O)=O)cc1)(=O)=O)C(=O)C
SPLASH splash10-0f6x-9600000000-a24b86afc9308c569055
Source of Spectrum AD-0-2532-0
Wiley ID 1432704