| SpectraBase Spectrum ID |
IZhUO0cbZiW |
| Name |
1,2-Benzenediol, o-(4-methylbenzoyl)-o'-propoxycarbonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.115423675 u |
| Formula |
C18H18O5 |
| InChI |
InChI=1S/C18H18O5/c1-3-12-21-18(20)23-16-7-5-4-6-15(16)22-17(19)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3 |
| InChIKey |
PCBLUWUXPGEYSJ-UHFFFAOYSA-N |
| Molecular Weight |
314.337 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C1=CC=C(C)C=C1)OC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903613 |
