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(R)-(-)-2-((S)-2-(6-methoxynaphthalen-2-yl)propanoyl)-1,2,3,6,7,¹¹b-hexahydro-4H-pyrazino[2,1-A]isoquinolin-4-one

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(R)-(-)-2-((S)-2-(6-methoxynaphthalen-2-yl)propanoyl)-1,2,3,6,7,¹¹b-hexahydro-4H-pyrazino[2,1-A]isoquinolin-4-one
SpectraBase Compound ID FL9MaP9qDuk
InChI InChI=1S/C26H26N2O3/c1-17(19-7-8-21-14-22(31-2)10-9-20(21)13-19)26(30)27-15-24-23-6-4-3-5-18(23)11-12-28(24)25(29)16-27/h3-10,13-14,17,24H,11-12,15-16H2,1-2H3/t17-,24-/m0/s1
InChIKey VOVABYXADIZGRX-XDHUDOTRSA-N
Mol Weight 414.51 g/mol
Molecular Formula C26H26N2O3
Exact Mass 414.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfHoXwjUj5p
Name (R)-(-)-2-((S)-2-(6-methoxynaphthalen-2-yl)propanoyl)-1,2,3,6,7,¹¹b-hexahydro-4H-pyrazino[2,1-A]isoquinolin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.194342702 u
Formula C26H26N2O3
InChI InChI=1S/C26H26N2O3/c1-17(19-7-8-21-14-22(31-2)10-9-20(21)13-19)26(30)27-15-24-23-6-4-3-5-18(23)11-12-28(24)25(29)16-27/h3-10,13-14,17,24H,11-12,15-16H2,1-2H3/t17-,24-/m0/s1
InChIKey VOVABYXADIZGRX-XDHUDOTRSA-N
Molecular Weight 414.505 g/mol
SMILES C(N1C[C@]2(C=3C(=CC=CC3)CCN2C(C1)=O)[H])([C@](C1=CC2=CC=C(C=C2C=C1)OC)(C)[H])=O