| SpectraBase Spectrum ID |
5uuZ0JDwSv8 |
| Name |
1,3-Benzenediol, o-(4-butylbenzoyl)-o'-isobutoxycarbonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.178023932 u |
| Formula |
C22H26O5 |
| InChI |
InChI=1S/C22H26O5/c1-4-5-7-17-10-12-18(13-11-17)21(23)26-19-8-6-9-20(14-19)27-22(24)25-15-16(2)3/h6,8-14,16H,4-5,7,15H2,1-3H3 |
| InChIKey |
CENIDKSVWHRFSO-UHFFFAOYSA-N |
| Molecular Weight |
370.445 g/mol |
| SMILES |
C1=C(C=C(C=C1)OC(C1=CC=C(C=C1)CCCC)=O)OC(=O)OCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826338 |
