| SpectraBase Spectrum ID |
5EtPjakYYCf |
| Name |
1-Acetoxy-3-(2-propenyl)-4-(2,3-diacetoxy-propoxy)-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.136553041 u |
| Formula |
C18H22O7 |
| InChI |
InChI=1S/C18H22O7/c1-5-6-15-9-16(24-13(3)20)7-8-18(15)23-11-17(25-14(4)21)10-22-12(2)19/h5,7-9,17H,1,6,10-11H2,2-4H3 |
| InChIKey |
UGLDVYYRPLVKDT-UHFFFAOYSA-N |
| Molecular Weight |
350.367 g/mol |
| SMILES |
C=1(C(OCC(OC(=O)C)COC(=O)C)=CC=C(OC(=O)C)C1)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927383 |
