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2-Ethyl-5-(4-nitro-1,8-naphthalimido)-1,3,4-thiadiazole

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-Ethyl-5-(4-nitro-1,8-naphthalimido)-1,3,4-thiadiazole
SpectraBase Compound ID J83agHWp1Uv
InChI InChI=1S/C16H10N4O4S/c1-2-12-17-18-16(25-12)19-14(21)9-5-3-4-8-11(20(23)24)7-6-10(13(8)9)15(19)22/h3-7H,2H2,1H3
InChIKey HECOZUADFCHTPH-UHFFFAOYSA-N
Mol Weight 354.34 g/mol
Molecular Formula C16H10N4O4S
Exact Mass 354.042276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQvvi09AMC
Name 2-Ethyl-5-(4-nitro-1,8-naphthalimido)-1,3,4-thiadiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.042275988 u
Formula C16H10N4O4S
InChI InChI=1S/C16H10N4O4S/c1-2-12-17-18-16(25-12)19-14(21)9-5-3-4-8-11(20(23)24)7-6-10(13(8)9)15(19)22/h3-7H,2H2,1H3
InChIKey HECOZUADFCHTPH-UHFFFAOYSA-N
Molecular Weight 354.340 g/mol
SMILES C12=C3C=CC(=C2C=CC=C1C(=O)N(C3=O)C=1SC(CC)=NN1)N(=O)=O