SpectraBase Compound ID | ArKcT1cHOKW |
---|---|
InChI | InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14) |
InChIKey | UAQVHNZEONHPQG-UHFFFAOYSA-N |
Mol Weight | 193.2 g/mol |
Molecular Formula | C10H11NO3 |
Exact Mass | 193.073893 g/mol |
SpectraBase Spectrum ID | 8LWQOkmy6cJ |
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Name | dl-N-Benzoylalanine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 193.073893215 u |
Formula | C10H11NO3 |
InChI | InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14) |
InChIKey | UAQVHNZEONHPQG-UHFFFAOYSA-N |
Molecular Weight | 193.202 g/mol |
SMILES | N(C(C1=CC=CC=C1)=O)C(C(O)=O)C |
Spectrum/Structure Validation Score (Raman) | 0.878563 |