SpectraBase Compound ID | 1bWPELG2BqC |
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InChI | InChI=1S/C17H15N3O7/c21-15(22)7-8-18-16(23)13(19-17(24)14-2-1-9-27-14)10-11-3-5-12(6-4-11)20(25)26/h1-6,9-10H,7-8H2,(H,18,23)(H,19,24)(H,21,22)/b13-10- |
InChIKey | QHRRIONBVJHSGI-RAXLEYEMSA-N |
Mol Weight | 373.32 g/mol |
Molecular Formula | C17H15N3O7 |
Exact Mass | 373.091 g/mol |
SpectraBase Spectrum ID | C5XsEYLmGV6 |
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Name | N-[(2Z)-2-(2-furoylamino)-3-(4-nitrophenyl)-2-propenoyl]-beta-alanine |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 373.090999828 u |
Formula | C17H15N3O7 |
InChI | InChI=1S/C17H15N3O7/c21-15(22)7-8-18-16(23)13(19-17(24)14-2-1-9-27-14)10-11-3-5-12(6-4-11)20(25)26/h1-6,9-10H,7-8H2,(H,18,23)(H,19,24)(H,21,22)/b13-10- |
InChIKey | QHRRIONBVJHSGI-RAXLEYEMSA-N |
Molecular Weight | 373.321 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_1971 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12278726 |