SpectraBase Compound ID | BBigZRSYO46 |
---|---|
InChI | InChI=1S/C17H15BrN2O5/c18-12-5-3-11(4-6-12)10-13(16(23)19-8-7-15(21)22)20-17(24)14-2-1-9-25-14/h1-6,9-10H,7-8H2,(H,19,23)(H,20,24)(H,21,22)/b13-10- |
InChIKey | KIFRZNMGJFNNIM-RAXLEYEMSA-N |
Mol Weight | 407.22 g/mol |
Molecular Formula | C17H15BrN2O5 |
Exact Mass | 406.016435 g/mol |
SpectraBase Spectrum ID | CWcK2Y6k1Cl |
---|---|
Name | N-[(2Z)-3-(4-bromophenyl)-2-(2-furoylamino)-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 | 406.016434586 u |
Formula | C17H15BrN2O5 |
InChI | InChI=1S/C17H15BrN2O5/c18-12-5-3-11(4-6-12)10-13(16(23)19-8-7-15(21)22)20-17(24)14-2-1-9-25-14/h1-6,9-10H,7-8H2,(H,19,23)(H,20,24)(H,21,22)/b13-10- |
InChIKey | KIFRZNMGJFNNIM-RAXLEYEMSA-N |
Molecular Weight | 407.220 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_1974 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/12278729 |