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(1R,3R,4R)-3-Hydroxymethyl-1-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline

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

(1R,3R,4R)-3-Hydroxymethyl-1-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID IHfpYHZRLQO
InChI InChI=1S/C17H19NO/c1-12-14-9-5-6-10-15(14)17(16(11-19)18-12)13-7-3-2-4-8-13/h2-10,12,16-19H,11H2,1H3/t12-,16+,17-/m1/s1
InChIKey MHEFQFYKFPUPGU-OAUYIBNBSA-N
Mol Weight 253.34 g/mol
Molecular Formula C17H19NO
Exact Mass 253.146664 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cja99MFPEyX
Name (1R,3R,4R)-3-Hydroxymethyl-1-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.146664235 u
Formula C17H19NO
InChI InChI=1S/C17H19NO/c1-12-14-9-5-6-10-15(14)17(16(11-19)18-12)13-7-3-2-4-8-13/h2-10,12,16-19H,11H2,1H3/t12-,16+,17-/m1/s1
InChIKey MHEFQFYKFPUPGU-OAUYIBNBSA-N
Molecular Weight 253.345 g/mol
SMILES C1=2[C@]([C@](CO)(N[C@@](C2C=CC=C1)(C)[H])[H])(C1=CC=CC=C1)[H]