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4-(1,2,3-Thiadiazol-4-yl)phenyl 5-nitro-2-furoate
SpectraBase Compound ID KBOHeTNCnml
InChI InChI=1S/C13H7N3O5S/c17-13(11-5-6-12(21-11)16(18)19)20-9-3-1-8(2-4-9)10-7-22-15-14-10/h1-7H
InChIKey DPTPYCOQDJCQCP-UHFFFAOYSA-N
Mol Weight 317.28 g/mol
Molecular Formula C13H7N3O5S
Exact Mass 317.010642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FHxSW8zCr3
Name 4-(1,2,3-Thiadiazol-4-yl)phenyl 5-nitro-2-furoate
Alternate Name(s) 5-Nitro-2-furancarboxylic acid [4-(4-thiadiazolyl)phenyl] ester [4-(thiadiazol-4-yl)phenyl] 5-nitrofuran-2-carboxylate [4-(1,2,3-thiadiazol-4-yl)phenyl] 5-nitrofuran-2-carboxylate
CAS Registry Number 253864-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7N3O5S
InChI InChI=1S/C13H7N3O5S/c17-13(11-5-6-12(21-11)16(18)19)20-9-3-1-8(2-4-9)10-7-22-15-14-10/h1-7H
InChIKey DPTPYCOQDJCQCP-UHFFFAOYSA-N
Molecular Weight 317.275 g/mol
SMILES c1(N(=O)=O)oc(C(Oc2ccc(-c3nnsc3)cc2)=O)cc1
SPLASH splash10-000b-7930000000-6789d7d3030133d7ecec
Source of Spectrum AD-0-2532-0
Wiley ID 1427545