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1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine

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

1-(1,3-Benzoxazol-2-ylsulfanyl)-4-(4-chlorophenyl)phthalazine
SpectraBase Compound ID DNh0DgwEKAp
InChI InChI=1S/C21H12ClN3OS/c22-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)20(25-24-19)27-21-23-17-7-3-4-8-18(17)26-21/h1-12H
InChIKey SBWILTSWVMTIGK-UHFFFAOYSA-N
Mol Weight 389.86 g/mol
Molecular Formula C21H12ClN3OS
Exact Mass 389.038961 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CxfXmM8uH9p
Name phthalazine, 1-(2-benzoxazolylthio)-4-(4-chlorophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.038960891 u
Formula C21H12ClN3OS
InChI InChI=1S/C21H12ClN3OS/c22-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)20(25-24-19)27-21-23-17-7-3-4-8-18(17)26-21/h1-12H
InChIKey SBWILTSWVMTIGK-UHFFFAOYSA-N
Molecular Weight 389.860 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5555
Solvent DMSO-d6
Source Vendor ID: ZI/9061241; Lab Info: ZUB; Lab Number: ZUB-0001026