| SpectraBase Spectrum ID |
1fLq4UMB6MA |
| Name |
(5-Tert-butyl-2-(N-propyloxycarbonyloxy)-4-dihydroxyphenyl)(phenyl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.162373868 u |
| Formula |
C21H24O5 |
| InChI |
InChI=1S/C21H24O5/c1-5-11-25-20(24)26-18-13-17(22)16(21(2,3)4)12-15(18)19(23)14-9-7-6-8-10-14/h6-10,12-13,22H,5,11H2,1-4H3 |
| InChIKey |
IPVJZZQCNHAWOY-UHFFFAOYSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
C1(O)=C(C=C(C(=C1)OC(OCCC)=O)C(=O)C1=CC=CC=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911312 |
