| SpectraBase Spectrum ID |
J5SlcWyjQyd |
| Name |
(Phenylmethyl) 4-methoxy-3,6-bis(oxidanyl)-2-pentyl-benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.162373868 u |
| Formula |
C20H24O5 |
| InChI |
InChI=1S/C20H24O5/c1-3-4-6-11-15-18(16(21)12-17(24-2)19(15)22)20(23)25-13-14-9-7-5-8-10-14/h5,7-10,12,21-22H,3-4,6,11,13H2,1-2H3 |
| InChIKey |
KVFBXXOZIUUGFD-UHFFFAOYSA-N |
| Molecular Weight |
344.407 g/mol |
| SMILES |
C=1(C(=C(O)C(=CC1O)OC)CCCCC)C(OCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938571 |
