| SpectraBase Spectrum ID |
BdyeufdZzkq |
| Name |
3,4-Trans-2,2-dimethyl-3-phenyl-4-(p-hydroxy-3'-nitrophenyl)-7-methoxychroman |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.157622840 u |
| Formula |
C24H23NO5 |
| InChI |
InChI=1S/C24H23NO5/c1-24(2)23(15-7-5-4-6-8-15)22(16-9-12-20(26)19(13-16)25(27)28)18-11-10-17(29-3)14-21(18)30-24/h4-14,22-23,26H,1-3H3/t22-,23+/m1/s1 |
| InChIKey |
XQFKDXWMJQPEDQ-PKTZIBPZSA-N |
| Molecular Weight |
405.450 g/mol |
| SMILES |
C1(N(=O)=O)=CC([C@@]2(C=3C(=CC(=CC3)OC)OC([C@]2(C=2C=CC=CC2)[H])(C)C)[H])=CC=C1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885243 |
