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N-(1H-benzimidazol-2-ylmethyl)-5-[4-(4-chloroanilino)-1-phthalazinyl]-2-methylbenzenesulfonamide
SpectraBase Compound ID FiKqUNKVWLG
InChI InChI=1S/C29H23ClN6O2S/c1-18-10-11-19(16-26(18)39(37,38)31-17-27-33-24-8-4-5-9-25(24)34-27)28-22-6-2-3-7-23(22)29(36-35-28)32-21-14-12-20(30)13-15-21/h2-16,31H,17H2,1H3,(H,32,36)(H,33,34)
InChIKey VPWLJNZGTXQOPG-UHFFFAOYSA-N
Mol Weight 555.06 g/mol
Molecular Formula C29H23ClN6O2S
Exact Mass 554.129173 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Af8dYM4fc8y
Name N-(1H-benzimidazol-2-ylmethyl)-5-[4-(4-chloroanilino)-1-phthalazinyl]-2-methylbenzenesulfonamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H23ClN6O2S/c1-18-10-11-19(16-26(18)39(37,38)31-17-27-33-24-8-4-5-9-25(24)34-27)28-22-6-2-3-7-23(22)29(36-35-28)32-21-14-12-20(30)13-15-21/h2-16,31H,17H2,1H3,(H,32,36)(H,33,34)
InChIKey VPWLJNZGTXQOPG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14940
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: C26450; Labnumber: RRAZ1-2144; SBI_ID: SBI-014943
Temperature 308 °C