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1-(1,2-Diphenylethyl)-3-(3A,4,5,6,7,7A-hexahydro-4,7-methanoinden-5-yl)-2-thiourea

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1-(1,2-Diphenylethyl)-3-(3A,4,5,6,7,7A-hexahydro-4,7-methanoinden-5-yl)-2-thiourea
SpectraBase Compound ID 9Z6aWBAKLyH
InChI InChI=1S/C25H28N2S/c28-25(27-24-16-19-15-22(24)21-13-7-12-20(19)21)26-23(18-10-5-2-6-11-18)14-17-8-3-1-4-9-17/h1-11,13,19-24H,12,14-16H2,(H2,26,27,28)
InChIKey QRWIIQXFTWCVPH-UHFFFAOYSA-N
Mol Weight 388.57 g/mol
Molecular Formula C25H28N2S
Exact Mass 388.19732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgIDZhqdVV9
Name 1-(1,2-Diphenylethyl)-3-(3A,4,5,6,7,7A-hexahydro-4,7-methanoinden-5-yl)-2-thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.197320084 u
Formula C25H28N2S
InChI InChI=1S/C25H28N2S/c28-25(27-24-16-19-15-22(24)21-13-7-12-20(19)21)26-23(18-10-5-2-6-11-18)14-17-8-3-1-4-9-17/h1-11,13,19-24H,12,14-16H2,(H2,26,27,28)
InChIKey QRWIIQXFTWCVPH-UHFFFAOYSA-N
Molecular Weight 388.573 g/mol
SMILES N(C1CC2C3CC=CC3C1C2)C(NC(CC=1C=CC=CC1)C=1C=CC=CC1)=S