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3,6-bis(4-nitrophenyl)-4,5-dihydro-1,2,7-thiadiazepine
SpectraBase Compound ID Cc8Zx50oLLf
InChI InChI=1S/C16H12N4O4S/c21-19(22)13-5-1-11(2-6-13)15-9-10-16(18-25-17-15)12-3-7-14(8-4-12)20(23)24/h1-8H,9-10H2
InChIKey ARTCXSIXJIWNSC-UHFFFAOYSA-N
Mol Weight 356.36 g/mol
Molecular Formula C16H12N4O4S
Exact Mass 356.057926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cVFugrxpa4
Name 3,6-bis(4-nitrophenyl)-4,5-dihydro-1,2,7-thiadiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N4O4S
InChI InChI=1S/C16H12N4O4S/c21-19(22)13-5-1-11(2-6-13)15-9-10-16(18-25-17-15)12-3-7-14(8-4-12)20(23)24/h1-8H,9-10H2
InChIKey ARTCXSIXJIWNSC-UHFFFAOYSA-N
Molecular Weight 356.356 g/mol
SMILES c1(N(=O)=O)ccc(C2=NSN=C(CC2)c2ccc(N(=O)=O)cc2)cc1
SPLASH splash10-0fbc-7933000000-a3d5b4b7c257b0162cf0
Source of Spectrum AN-106-610-19
Wiley ID 747705