| SpectraBase Spectrum ID |
AR8CQg7Gf7H |
| Name |
Allyl 2-(4-methylphenoxy)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.109944372 u |
| Formula |
C17H16O3 |
| InChI |
InChI=1S/C17H16O3/c1-3-12-19-17(18)15-6-4-5-7-16(15)20-14-10-8-13(2)9-11-14/h3-11H,1,12H2,2H3 |
| InChIKey |
NZLPJLOUWPTCKJ-UHFFFAOYSA-N |
| Molecular Weight |
268.312 g/mol |
| SMILES |
C=1(C(=O)OCC=C)C(OC=2C=CC(=CC2)C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828809 |
