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(1S)-2-Benzyl-1-(2',2'-dimethoxyethyl)-1,2,3,4-tetrahydro-.beta.-carboline

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

(1S)-2-Benzyl-1-(2',2'-dimethoxyethyl)-1,2,3,4-tetrahydro-.beta.-carboline
SpectraBase Compound ID CcPEINnWUcQ
InChI InChI=1S/C22H26N2O2/c1-25-21(26-2)14-20-22-18(17-10-6-7-11-19(17)23-22)12-13-24(20)15-16-8-4-3-5-9-16/h3-11,20-21,23H,12-15H2,1-2H3/t20-/m0/s1
InChIKey HEPCFQGBEQCOOI-FQEVSTJZSA-N
Mol Weight 350.46 g/mol
Molecular Formula C22H26N2O2
Exact Mass 350.199428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EE4J9f7lPu1
Name (1S)-2-Benzyl-1-(2',2'-dimethoxyethyl)-1,2,3,4-tetrahydro-.beta.-carboline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.199428083 u
Formula C22H26N2O2
InChI InChI=1S/C22H26N2O2/c1-25-21(26-2)14-20-22-18(17-10-6-7-11-19(17)23-22)12-13-24(20)15-16-8-4-3-5-9-16/h3-11,20-21,23H,12-15H2,1-2H3/t20-/m0/s1
InChIKey HEPCFQGBEQCOOI-FQEVSTJZSA-N
Molecular Weight 350.462 g/mol
SMILES C12=C(C=3C=CC=CC3N2)CCN([C@]1(CC(OC)OC)[H])CC=1C=CC=CC1