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10-.alpha.-(4,5-Dihydro-4-cyano-1,2,3-triazol-1-yl)acetyl-10H-phenothiazine

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

10-.alpha.-(4,5-Dihydro-4-cyano-1,2,3-triazol-1-yl)acetyl-10H-phenothiazine
SpectraBase Compound ID GoIwAlgrfT8
InChI InChI=1S/C17H13N5OS/c18-9-12-10-21(20-19-12)11-17(23)22-13-5-1-3-7-15(13)24-16-8-4-2-6-14(16)22/h1-8,12H,10-11H2
InChIKey KSCOOJFIIOKALS-UHFFFAOYSA-N
Mol Weight 335.39 g/mol
Molecular Formula C17H13N5OS
Exact Mass 335.084081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6l8Vk25XR2d
Name 10-.alpha.-(4,5-Dihydro-4-cyano-1,2,3-triazol-1-yl)acetyl-10H-phenothiazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.084081232 u
Formula C17H13N5OS
InChI InChI=1S/C17H13N5OS/c18-9-12-10-21(20-19-12)11-17(23)22-13-5-1-3-7-15(13)24-16-8-4-2-6-14(16)22/h1-8,12H,10-11H2
InChIKey KSCOOJFIIOKALS-UHFFFAOYSA-N
Molecular Weight 335.385 g/mol
SMILES C(N1C=2C(=CC=CC2)SC2=C1C=CC=C2)(CN1N=NC(C1)C#N)=O