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2-[p-(Morpholinosulfonyl)phenoxy]isophthalonitrile

View entire compound with spectra: 3 NMR, and 1 FTIR

2-[p-(Morpholinosulfonyl)phenoxy]isophthalonitrile
SpectraBase Compound ID LoAF7k2K4Ut
InChI InChI=1S/C18H15N3O4S/c19-12-14-2-1-3-15(13-20)18(14)25-16-4-6-17(7-5-16)26(22,23)21-8-10-24-11-9-21/h1-7H,8-11H2
InChIKey HJRNPWDDKFBVJO-UHFFFAOYSA-N
Mol Weight 369.4 g/mol
Molecular Formula C18H15N3O4S
Exact Mass 369.078327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kHT2A8YPfr
Name 2-[p-(Morpholinosulfonyl)phenoxy]isophthalonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.078327145 u
Formula C18H15N3O4S
InChI InChI=1S/C18H15N3O4S/c19-12-14-2-1-3-15(13-20)18(14)25-16-4-6-17(7-5-16)26(22,23)21-8-10-24-11-9-21/h1-7H,8-11H2
InChIKey HJRNPWDDKFBVJO-UHFFFAOYSA-N
Molecular Weight 369.395 g/mol
SMILES C1=C(C(=C(C=C1)C#N)OC=1C=CC(=CC1)S(=O)(=O)N1CCOCC1)C#N