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2,17:12,14-Dietheno-4,10,7,1,13-benzodioxathiadiazacyclopentadecine-3,11-dione, 5,6,8,9-tetrahydro-

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2,17:12,14-Dietheno-4,10,7,1,13-benzodioxathiadiazacyclopentadecine-3,11-dione, 5,6,8,9-tetrahydro-
SpectraBase Compound ID LeXCA236ddl
InChI InChI=1S/C18H14N2O4S/c21-17-13-5-3-11-1-2-12-4-6-14(20-16(12)15(11)19-13)18(22)24-8-10-25-9-7-23-17/h1-6H,7-10H2
InChIKey FGTHDBXOSXMJSU-UHFFFAOYSA-N
Mol Weight 354.38 g/mol
Molecular Formula C18H14N2O4S
Exact Mass 354.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kWpOtGZR1l
Name 2,17:12,14-Dietheno-4,10,7,1,13-benzodioxathiadiazacyclopentadecine-3,11-dione, 5,6,8,9-tetrahydro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.067428109 u
Formula C18H14N2O4S
InChI InChI=1S/C18H14N2O4S/c21-17-13-5-3-11-1-2-12-4-6-14(20-16(12)15(11)19-13)18(22)24-8-10-25-9-7-23-17/h1-6H,7-10H2
InChIKey FGTHDBXOSXMJSU-UHFFFAOYSA-N
Molecular Weight 354.380 g/mol
SMILES C12=NC=3C(OCCSCCOC(C=4N=C2C(C=CC1=CC3)=CC4)=O)=O