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2-[(5-Benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone

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2-[(5-Benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
SpectraBase Compound ID 8F9YnMx2LwN
InChI InChI=1S/C29H26N4OS/c34-28(33-25-17-9-7-15-23(25)24-16-8-10-18-26(24)33)20-35-29-31-30-27(19-21-11-3-1-4-12-21)32(29)22-13-5-2-6-14-22/h1-7,9,11-15,17H,8,10,16,18-20H2
InChIKey LFMDUDPIQLCSSD-UHFFFAOYSA-N
Mol Weight 478.61 g/mol
Molecular Formula C29H26N4OS
Exact Mass 478.182733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dq77JMoNyvv
Name 2-[(5-Benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.182732646 u
Formula C29H26N4OS
InChI InChI=1S/C29H26N4OS/c34-28(33-25-17-9-7-15-23(25)24-16-8-10-18-26(24)33)20-35-29-31-30-27(19-21-11-3-1-4-12-21)32(29)22-13-5-2-6-14-22/h1-7,9,11-15,17H,8,10,16,18-20H2
InChIKey LFMDUDPIQLCSSD-UHFFFAOYSA-N
Molecular Weight 478.614 g/mol
SMILES C=1C=CC(N2C(SCC(N3C4=C(CCCC4)C4=C3C=CC=C4)=O)=NN=C2CC=2C=CC=CC2)=CC1