![(2Z)-2-butenedioic acid compound with 1-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (1:1)](/api/spectrum/KSDqyC3wd4m/structure.png?h=300&w=458 "(2Z)-2-butenedioic acid compound with 1-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (1:1)")
| SpectraBase Compound ID | CDo4sViZD58 |
|---|---|
| InChI | InChI=1S/C17H22N2O2.C4H4O4/c1-20-16-8-6-13(12-17(16)21-2)5-7-14-15-4-3-10-19(15)11-9-18-14;5-3(6)1-2-4(7)8/h3-4,6,8,10,12,14,18H,5,7,9,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChIKey | XQCSCUQPTGUSNO-BTJKTKAUSA-N |
| Mol Weight | 402.45 g/mol |
| Molecular Formula | C21H26N2O6 |
| Exact Mass | 402.179087 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | KSDqyC3wd4m |
|---|---|
| Name | (2Z)-2-butenedioic acid compound with 1-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (1:1) |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.179086559 u |
| Formula | C21H26N2O6 |
| InChI | InChI=1S/C17H22N2O2.C4H4O4/c1-20-16-8-6-13(12-17(16)21-2)5-7-14-15-4-3-10-19(15)11-9-18-14;5-3(6)1-2-4(7)8/h3-4,6,8,10,12,14,18H,5,7,9,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChIKey | XQCSCUQPTGUSNO-BTJKTKAUSA-N |
| Molecular Weight | 402.447 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_3536 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12289707 |