SpectraBase Compound ID | HE6xso0jatQ |
---|---|
InChI | InChI=1S/C10H10N2O5/c13-9(14)5-6-11-10(15)7-1-3-8(4-2-7)12(16)17/h1-4H,5-6H2,(H,11,15)(H,13,14) |
InChIKey | PDTLZWITKYGYDN-UHFFFAOYSA-N |
Mol Weight | 238.2 g/mol |
Molecular Formula | C10H10N2O5 |
Exact Mass | 238.058971 g/mol |
SpectraBase Spectrum ID | Li4PXrCzxGN |
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Name | N-(4-nitrobenzoyl)-beta-alanine |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 233447 |
CAS Registry Number | 59642-21-6 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C10H10N2O5 |
InChI | InChI=1S/C10H10N2O5/c13-9(14)5-6-11-10(15)7-1-3-8(4-2-7)12(16)17/h1-4H,5-6H2,(H,11,15)(H,13,14) |
InChIKey | PDTLZWITKYGYDN-UHFFFAOYSA-N |
Observed nucleus | 13C |
Purity | 98% |
Solvent | DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_13CNMR_003641 |