| SpectraBase Spectrum ID |
1rMzjh5hANa |
| Name |
Acetic acid, (4-chloro-2-methylphenoxy)-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.196172555 u |
| Formula |
C20H31ClO3 |
| InChI |
InChI=1S/C20H31ClO3/c1-3-4-5-6-7-8-9-10-11-14-23-20(22)16-24-19-13-12-18(21)15-17(19)2/h12-13,15H,3-11,14,16H2,1-2H3 |
| InChIKey |
JYRWJKWRXPXOAR-UHFFFAOYSA-N |
| Molecular Weight |
354.918 g/mol |
| SMILES |
C(C(=O)OCCCCCCCCCCC)OC=1C=CC(=CC1C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838367 |
