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(3R,6S,12Ar)-3-methyl-6-(2-methylprop-1-en-1-yl)-2,3,6,7,12,12A-hexahydropyrazino[1',2':1,6]pyrido[3,4-B]indole-1,4-dione

View entire compound with spectra: 1 NMR

(3R,6S,12Ar)-3-methyl-6-(2-methylprop-1-en-1-yl)-2,3,6,7,12,12A-hexahydropyrazino[1',2':1,6]pyrido[3,4-B]indole-1,4-dione
SpectraBase Compound ID 2WmSHclqeQl
InChI InChI=1S/C19H21N3O2/c1-10(2)8-15-17-13(12-6-4-5-7-14(12)21-17)9-16-18(23)20-11(3)19(24)22(15)16/h4-8,11,15-16,21H,9H2,1-3H3,(H,20,23)/t11-,15+,16-/m1/s1
InChIKey AORFJRDEHPKMGH-XFBWCDHKSA-N
Mol Weight 323.4 g/mol
Molecular Formula C19H21N3O2
Exact Mass 323.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IL6m7BpIlXv
Name (3R,6S,12Ar)-3-methyl-6-(2-methylprop-1-en-1-yl)-2,3,6,7,12,12A-hexahydropyrazino[1',2':1,6]pyrido[3,4-B]indole-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.163376926 u
Formula C19H21N3O2
InChI InChI=1S/C19H21N3O2/c1-10(2)8-15-17-13(12-6-4-5-7-14(12)21-17)9-16-18(23)20-11(3)19(24)22(15)16/h4-8,11,15-16,21H,9H2,1-3H3,(H,20,23)/t11-,15+,16-/m1/s1
InChIKey AORFJRDEHPKMGH-XFBWCDHKSA-N
Molecular Weight 323.396 g/mol
SMILES C1=2NC3=C(C2C[C@]2(N([C@]1(C=C(C)C)[H])C(=O)[C@](NC2=O)(C)[H])[H])C=CC=C3