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Methyl 2-(2-oxo-1-p-tolylthiopropyl)piperidin-1-carboxylate isomer
SpectraBase Compound ID 6pUL355RTXi
InChI InChI=1S/C17H23NO3S/c1-12-7-9-14(10-8-12)22-16(13(2)19)15-6-4-5-11-18(15)17(20)21-3/h7-10,15-16H,4-6,11H2,1-3H3
InChIKey HBCFKFJYIIIXCL-UHFFFAOYSA-N
Mol Weight 321.44 g/mol
Molecular Formula C17H23NO3S
Exact Mass 321.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5WD5QzUmnV
Name Methyl 2-(2-oxo-1-p-tolylthiopropyl)piperidin-1-carboxylate isomer
Alternate Name(s) Methyl 2-(2-oxo-1-p-tolylthiopropyl)piperidin-1-carboxylate Methyl 2-{1-[(4-methylphenyl)sulfanyl]-2-oxopropyl}-1-piperidinecarboxylate
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Formula C17H23NO3S
InChI InChI=1S/C17H23NO3S/c1-12-7-9-14(10-8-12)22-16(13(2)19)15-6-4-5-11-18(15)17(20)21-3/h7-10,15-16H,4-6,11H2,1-3H3
InChIKey HBCFKFJYIIIXCL-UHFFFAOYSA-N
Molecular Weight 321.435 g/mol
SMILES C1(N(CCCC1)C(=O)OC)C(Sc1ccc(cc1)C)C(=O)C
SPLASH splash10-0006-0900000000-f73653a7535197eeb92b
Source of Spectrum QC-8-129-33
Wiley ID 869653