SpectraBase Compound ID | 6VJ49RiIPa9 |
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InChI | InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1 |
InChIKey | VSDUZFOSJDMAFZ-VIFPVBQESA-N |
Mol Weight | 179.22 g/mol |
Molecular Formula | C10H13NO2 |
Exact Mass | 179.094629 g/mol |
SpectraBase Spectrum ID | 8G45LxIsTwc |
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Name | L-Phenylalanine, methyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 179.094628661 u |
Formula | C10H13NO2 |
InChI | InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1 |
InChIKey | VSDUZFOSJDMAFZ-VIFPVBQESA-N |
Molecular Weight | 179.219 g/mol |
SMILES | [C@@](CC1=CC=CC=C1)(C(OC)=O)(N)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901832 |