| SpectraBase Spectrum ID |
6OCzxzzUqWV |
| Name |
5-Tert-butylamino-7-(tert-butylaminophenylmethyl)-6-methoxychroman-8-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.272593024 u |
| Formula |
C25H36N2O3 |
| InChI |
InChI=1S/C25H36N2O3/c1-24(2,3)26-19(16-12-9-8-10-13-16)18-21(28)22-17(14-11-15-30-22)20(23(18)29-7)27-25(4,5)6/h8-10,12-13,19,26-28H,11,14-15H2,1-7H3 |
| InChIKey |
YZQNDFWGDGHBST-UHFFFAOYSA-N |
| Molecular Weight |
412.574 g/mol |
| SMILES |
C=1(C(=C(NC(C)(C)C)C2=C(C1O)OCCC2)OC)C(NC(C)(C)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968083 |
