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3-[[2,2-Dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-F]indol-6-yl]methyl]-2,3,6,7-tetrahydropyrrolo[1,2-A]pyrazine-1,4-dione

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3-[[2,2-Dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-F]indol-6-yl]methyl]-2,3,6,7-tetrahydropyrrolo[1,2-A]pyrazine-1,4-dione
SpectraBase Compound ID 46TgK348A2P
InChI InChI=1S/C26H29N3O3/c1-6-25(2,3)22-17(13-19-24(31)29-11-7-8-20(29)23(30)28-19)16-12-15-9-10-26(4,5)32-21(15)14-18(16)27-22/h6,8-10,12,14,19,27H,1,7,11,13H2,2-5H3,(H,28,30)
InChIKey OFQKTZRDRXZBON-UHFFFAOYSA-N
Mol Weight 431.54 g/mol
Molecular Formula C26H29N3O3
Exact Mass 431.220892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzfbVSn49sD
Name 3-[[2,2-Dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-F]indol-6-yl]methyl]-2,3,6,7-tetrahydropyrrolo[1,2-A]pyrazine-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.220891803 u
Formula C26H29N3O3
InChI InChI=1S/C26H29N3O3/c1-6-25(2,3)22-17(13-19-24(31)29-11-7-8-20(29)23(30)28-19)16-12-15-9-10-26(4,5)32-21(15)14-18(16)27-22/h6,8-10,12,14,19,27H,1,7,11,13H2,2-5H3,(H,28,30)
InChIKey OFQKTZRDRXZBON-UHFFFAOYSA-N
Molecular Weight 431.536 g/mol
SMILES C=12C(NC(C(N2CCC1)=O)CC1=C(NC2=C1C=C1C(=C2)OC(C=C1)(C)C)C(C)(C=C)C)=O