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2-[(4-Tert-butylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline

View entire compound with spectra: 3 NMR

2-[(4-Tert-butylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID Ej9QYuDeizB
InChI InChI=1S/C19H23NO2S/c1-19(2,3)17-8-10-18(11-9-17)23(21,22)20-13-12-15-6-4-5-7-16(15)14-20/h4-11H,12-14H2,1-3H3
InChIKey FRXPCACAINLEQD-UHFFFAOYSA-N
Mol Weight 329.46 g/mol
Molecular Formula C19H23NO2S
Exact Mass 329.14495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KqfDzFEoJh
Name 2-[(4-Tert-butylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.144950157 u
Formula C19H23NO2S
InChI InChI=1S/C19H23NO2S/c1-19(2,3)17-8-10-18(11-9-17)23(21,22)20-13-12-15-6-4-5-7-16(15)14-20/h4-11H,12-14H2,1-3H3
InChIKey FRXPCACAINLEQD-UHFFFAOYSA-N
Molecular Weight 329.458 g/mol
SMILES C1=CC=2CCN(S(C=3C=CC(C(C)(C)C)=CC3)(=O)=O)CC2C=C1