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3-Phenyl-2-(phenylthio)-1,6,7,8,9,9a-hexahydro-4-quinolizinone
SpectraBase Compound ID L4XIP620Ui6
InChI InChI=1S/C21H21NOS/c23-21-20(16-9-3-1-4-10-16)19(24-18-12-5-2-6-13-18)15-17-11-7-8-14-22(17)21/h1-6,9-10,12-13,17H,7-8,11,14-15H2
InChIKey NXNOBZSIHFTONV-UHFFFAOYSA-N
Mol Weight 335.47 g/mol
Molecular Formula C21H21NOS
Exact Mass 335.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3yQ2zAW21w
Name 3-Phenyl-2-(phenylthio)-1,6,7,8,9,9a-hexahydro-4-quinolizinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NOS
InChI InChI=1S/C21H21NOS/c23-21-20(16-9-3-1-4-10-16)19(24-18-12-5-2-6-13-18)15-17-11-7-8-14-22(17)21/h1-6,9-10,12-13,17H,7-8,11,14-15H2
InChIKey NXNOBZSIHFTONV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo102092b
Molecular Weight 335.465 g/mol
SMILES C1C2N(C(=O)C(c3ccccc3)=C1Sc1ccccc1)CCCC2
SPLASH splash10-0pyi-9300000000-b9bd3a48af39ef7e6dea
Source of Spectrum J-76-692/SMS7-15b
Synonyms 3-Phenyl-2-(phenylthio)-7,8,9,9a-tetrahydro-1H-quinolizin-4(6H)-one 3-Phenyl-2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one
Wiley ID 1751863