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(3Z)-1-(4-morpholinylmethyl)-1H-indole-2,3-dione 3-[N-(4-methoxyphenyl)thiosemicarbazone]
SpectraBase Compound ID 9BtcPnbgUZ
InChI InChI=1S/C21H23N5O3S/c1-28-16-8-6-15(7-9-16)22-21(30)24-23-19-17-4-2-3-5-18(17)26(20(19)27)14-25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H2,22,24,30)/b23-19-
InChIKey IPEALRQWVZVBPO-NMWGTECJSA-N
Mol Weight 425.51 g/mol
Molecular Formula C21H23N5O3S
Exact Mass 425.152161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hm7LSng3m04
Name (3Z)-1-(4-Morpholinylmethyl)-1H-indole-2,3-dione 3-[N-(4-methoxyphenyl)thiosemicarbazone]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.152160792 u
Formula C21H23N5O3S
InChI InChI=1S/C21H23N5O3S/c1-28-16-8-6-15(7-9-16)22-21(30)24-23-19-17-4-2-3-5-18(17)26(20(19)27)14-25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H2,22,24,30)/b23-19-
InChIKey IPEALRQWVZVBPO-NMWGTECJSA-N
Molecular Weight 425.507 g/mol
SMILES N(C(NC=1C=CC(=CC1)OC)=S)\N=C/1C(N(C2=C1C=CC=C2)CN1CCOCC1)=O