SpectraBase Compound ID | IAYZ4rIJlEv |
---|---|
InChI | InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1 |
InChIKey | MWZPENIJLUWBSY-VIFPVBQESA-N |
Mol Weight | 195.22 g/mol |
Molecular Formula | C10H13NO3 |
Exact Mass | 195.089543 g/mol |
SpectraBase Spectrum ID | 5Yd8iDQo5gR |
---|---|
Name | L-Tyrosine, methyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 195.089543280 u |
Formula | C10H13NO3 |
InChI | InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1 |
InChIKey | MWZPENIJLUWBSY-VIFPVBQESA-N |
Molecular Weight | 195.218 g/mol |
SMILES | OC1=CC=C(C[C@@](C(OC)=O)(N)[H])C=C1 |
Spectrum/Structure Validation Score (Raman) | 0.950805 |