SpectraBase Spectrum ID |
16bw0jchabc |
Name |
1-Tyrosine, benzyl ester, hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
307.097521141 u |
Formula |
C16H18ClNO3 |
InChI |
InChI=1S/C16H17NO3.ClH/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13;/h1-9,15,18H,10-11,17H2;1H |
InChIKey |
TWUDEFNJKBQTMK-UHFFFAOYSA-N |
SMILES |
Cl.OC1=CC=C(CC(C(OCC=2C=CC=CC2)=O)N)C=C1 |
Spectrum/Structure Validation Score (Raman) |
0.885967 |