| SpectraBase Spectrum ID |
6O6WokC93SY |
| Name |
2,2,4,6,7-Pentamethyl-3-[(4-nitrophenoxy)methyl]-5-phenylmethoxy-3H-1-benzofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.204573033 u |
| Formula |
C27H29NO5 |
| InChI |
InChI=1S/C27H29NO5/c1-17-18(2)26-24(19(3)25(17)32-15-20-9-7-6-8-10-20)23(27(4,5)33-26)16-31-22-13-11-21(12-14-22)28(29)30/h6-14,23H,15-16H2,1-5H3 |
| InChIKey |
USWXEKBKFQSJED-UHFFFAOYSA-N |
| Molecular Weight |
447.531 g/mol |
| SMILES |
C=1(C=CC(=CC1)OCC1C(OC=2C1=C(C(=C(C2C)C)OCC=1C=CC=CC1)C)(C)C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876105 |
![2,2,4,6,7-pentamethyl-3-[(4-nitrophenoxy)methyl]-5-phenylmethoxy-3H-1-benzofuran](/api/spectrum/6O6WokC93SY/structure.png?h=300&w=458 "2,2,4,6,7-pentamethyl-3-[(4-nitrophenoxy)methyl]-5-phenylmethoxy-3H-1-benzofuran")
