SpectraBase Compound ID | B0enwPMltFX |
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InChI | InChI=1S/C11H11NO3/c1-8(13)12-10-5-2-9(3-6-10)4-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15) |
InChIKey | WGMFHSADKZJPGR-UHFFFAOYSA-N |
Mol Weight | 205.21 g/mol |
Molecular Formula | C11H11NO3 |
Exact Mass | 205.073893 g/mol |
SpectraBase Spectrum ID | HbpdZuPGYCi |
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Name | p-Acetamidocinnamic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 205.073893215 u |
Formula | C11H11NO3 |
InChI | InChI=1S/C11H11NO3/c1-8(13)12-10-5-2-9(3-6-10)4-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15) |
InChIKey | WGMFHSADKZJPGR-UHFFFAOYSA-N |
Molecular Weight | 205.213 g/mol |
SMILES | N(C1=CC=C(C=CC(O)=O)C=C1)C(C)=O |
Spectrum/Structure Validation Score (Raman) | 0.920609 |