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1-(1,5-Dihydroxy-3,4-isopropoxypentyl)-.beta.-carboline

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

1-(1,5-Dihydroxy-3,4-isopropoxypentyl)-.beta.-carboline
SpectraBase Compound ID Aoe3w11r73
InChI InChI=1S/C19H22N2O4/c1-19(2)24-15(16(10-22)25-19)9-14(23)18-17-12(7-8-20-18)11-5-3-4-6-13(11)21-17/h3-8,14-16,21-23H,9-10H2,1-2H3
InChIKey MPBMEPFQKLXCLL-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C19H22N2O4
Exact Mass 342.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHxG81zueZk
Name 1-(1,5-Dihydroxy-3,4-isopropoxypentyl)-.beta.-carboline
Comments Computed using HOSE algorithm
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Exact Mass 342.157957192 u
Formula C19H22N2O4
InChI InChI=1S/C19H22N2O4/c1-19(2)24-15(16(10-22)25-19)9-14(23)18-17-12(7-8-20-18)11-5-3-4-6-13(11)21-17/h3-8,14-16,21-23H,9-10H2,1-2H3
InChIKey MPBMEPFQKLXCLL-UHFFFAOYSA-N
Molecular Weight 342.395 g/mol
SMILES C1=2NC=3C=CC=CC3C2C=CN=C1C(CC1OC(C)(C)OC1CO)O