| SpectraBase Spectrum ID |
Hltu40Zoz7k |
| Name |
Acetic acid, (4-chloro-2-methylphenoxy)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.211822620 u |
| Formula |
C21H33ClO3 |
| InChI |
InChI=1S/C21H33ClO3/c1-3-4-5-6-7-8-9-10-11-12-15-24-21(23)17-25-20-14-13-19(22)16-18(20)2/h13-14,16H,3-12,15,17H2,1-2H3 |
| InChIKey |
KSMZDQFVAXUEOR-UHFFFAOYSA-N |
| Molecular Weight |
368.945 g/mol |
| SMILES |
C(C(=O)OCCCCCCCCCCCC)OC=1C=CC(=CC1C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888581 |
