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2-(Tosylprolyl)-1,2,3,4-tetrahydroisoquinoline

View entire compound with spectra: 1 NMR

2-(Tosylprolyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 13JGFtfbgJ9
InChI InChI=1S/C21H24N2O3S/c1-16-8-10-19(11-9-16)27(25,26)23-13-4-7-20(23)21(24)22-14-12-17-5-2-3-6-18(17)15-22/h2-3,5-6,8-11,20H,4,7,12-15H2,1H3
InChIKey MEBFDFBNQWOAHB-UHFFFAOYSA-N
Mol Weight 384.49 g/mol
Molecular Formula C21H24N2O3S
Exact Mass 384.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OoaIT33z6K
Name 2-(Tosylprolyl)-1,2,3,4-tetrahydroisoquinoline
Comments Computed using HOSE algorithm
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Exact Mass 384.150763812 u
Formula C21H24N2O3S
InChI InChI=1S/C21H24N2O3S/c1-16-8-10-19(11-9-16)27(25,26)23-13-4-7-20(23)21(24)22-14-12-17-5-2-3-6-18(17)15-22/h2-3,5-6,8-11,20H,4,7,12-15H2,1H3
InChIKey MEBFDFBNQWOAHB-UHFFFAOYSA-N
Molecular Weight 384.494 g/mol
SMILES C1N(CCC2=C1C=CC=C2)C(=O)C1N(CCC1)S(=O)(=O)C1=CC=C(C)C=C1