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1-Isoquinolinemethanol, .alpha.-1,3-benzodioxol-5-yl-2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-, (R*,S*)-(.+-.)-

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

1-Isoquinolinemethanol, .alpha.-1,3-benzodioxol-5-yl-2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-, (R*,S*)-(.+-.)-
SpectraBase Compound ID HJs2UJ7HJCG
InChI InChI=1S/C22H25NO4/c1-22(2,3)21(25)23-11-10-14-6-4-5-7-16(14)19(23)20(24)15-8-9-17-18(12-15)27-13-26-17/h4-9,12,19-20,24H,10-11,13H2,1-3H3/t19-,20+/m0/s1
InChIKey OYPPDFGILQUDCS-VQTJNVASSA-N
Mol Weight 367.45 g/mol
Molecular Formula C22H25NO4
Exact Mass 367.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ap5l9tMxyiK
Name 1-Isoquinolinemethanol, .alpha.-1,3-benzodioxol-5-yl-2-(2,2-dimethyl-1-oxopropyl)-1,2,3,4-tetrahydro-, (R*,S*)-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.178358285 u
Formula C22H25NO4
InChI InChI=1S/C22H25NO4/c1-22(2,3)21(25)23-11-10-14-6-4-5-7-16(14)19(23)20(24)15-8-9-17-18(12-15)27-13-26-17/h4-9,12,19-20,24H,10-11,13H2,1-3H3/t19-,20+/m0/s1
InChIKey OYPPDFGILQUDCS-VQTJNVASSA-N
Molecular Weight 367.445 g/mol
SMILES [C@]1(N(CCC=2C=CC=CC12)C(C(C)(C)C)=O)([C@@](C=1C=C2OCOC2=CC1)(O)[H])[H]