| SpectraBase Spectrum ID |
8QN8vYTgI9j |
| Name |
3-Acetyl-4-methoxy-1-[3'-(acetoxy)propyl]-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-10(15)13-9-12(6-7-14(13)17-3)5-4-8-18-11(2)16/h6-7,9H,4-5,8H2,1-3H3 |
| InChIKey |
ZEFJPZQPAMMAIG-UHFFFAOYSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
C=1(C(=O)C)C(=CC=C(C1)CCCOC(=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860132 |
![3-Acetyl-4-methoxy-1-[3'-(acetoxy)propyl]-benzene](/api/spectrum/8QN8vYTgI9j/structure.png?h=300&w=458 "3-Acetyl-4-methoxy-1-[3'-(acetoxy)propyl]-benzene")
