| SpectraBase Spectrum ID |
GbcLAQfNjCQ |
| Name |
1,4-Benzenediamine, N1-(3,4-dihydro-3,5,8-trimethyl-2H-1,3-benzoxazin-6-yl)-N4,N4-dimethyl-2-(phenylsulfonyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.192962977 u |
| Formula |
C25H29N3O3S |
| InChI |
InChI=1S/C25H29N3O3S/c1-17-13-23(18(2)21-15-28(5)16-31-25(17)21)26-22-12-11-19(27(3)4)14-24(22)32(29,30)20-9-7-6-8-10-20/h6-14,26H,15-16H2,1-5H3 |
| InChIKey |
PPMFELMYIPAHIE-UHFFFAOYSA-N |
| Molecular Weight |
451.585 g/mol |
| SMILES |
CN1COC=2C(C1)=C(C)C(=CC2C)NC1=CC=C(C=C1S(=O)(=O)C1=CC=CC=C1)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937134 |
