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2-[(4-Ethoxy-2,5-dimethylbenzene)sulfonyl]-1,2,3,4-tetrahydroisoquinoline

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[(4-Ethoxy-2,5-dimethylbenzene)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID B8HjhCaHbxq
InChI InChI=1S/C19H23NO3S/c1-4-23-18-11-15(3)19(12-14(18)2)24(21,22)20-10-9-16-7-5-6-8-17(16)13-20/h5-8,11-12H,4,9-10,13H2,1-3H3
InChIKey ALYHHAJKLYCTMF-UHFFFAOYSA-N
Mol Weight 345.46 g/mol
Molecular Formula C19H23NO3S
Exact Mass 345.139865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTHVNrO6Atw
Name 2-[(4-Ethoxy-2,5-dimethylbenzene)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.139864776 u
Formula C19H23NO3S
InChI InChI=1S/C19H23NO3S/c1-4-23-18-11-15(3)19(12-14(18)2)24(21,22)20-10-9-16-7-5-6-8-17(16)13-20/h5-8,11-12H,4,9-10,13H2,1-3H3
InChIKey ALYHHAJKLYCTMF-UHFFFAOYSA-N
Molecular Weight 345.457 g/mol
SMILES C1=CC=2CCN(S(C=3C=C(C)C(=CC3C)OCC)(=O)=O)CC2C=C1