SpectraBase Spectrum ID |
1tbKVY7Apm1 |
Name |
(E)-4-(3-Hydroxyprop-1-en-1-yl)phenyl acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
192.078644243 u |
Formula |
C11H12O3 |
InChI |
InChI=1S/C11H12O3/c1-9(13)14-11-6-4-10(5-7-11)3-2-8-12/h2-7,12H,8H2,1H3/b3-2+ |
InChIKey |
MUHNYWKQFOFBRC-NSCUHMNNSA-N |
Molecular Weight |
192.214 g/mol |
SMILES |
C1(=CC=C(C=C1)\C=C\CO)OC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966763 |