| SpectraBase Spectrum ID |
LqU3th3dxRs |
| Name |
(.alpha.R)-2-(.alpha.-Methylbenzyl)amino-1,3-propyl di-4-nitrobenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.148514705 u |
| Formula |
C25H23N3O8 |
| InChI |
InChI=1S/C25H23N3O8/c1-17(18-5-3-2-4-6-18)26-21(15-35-24(29)19-7-11-22(12-8-19)27(31)32)16-36-25(30)20-9-13-23(14-10-20)28(33)34/h2-14,17,21,26H,15-16H2,1H3/t17-/m1/s1 |
| InChIKey |
GYYSVKYXQALEGN-QGZVFWFLSA-N |
| Molecular Weight |
493.472 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(C(OCC(N[C@@](C2=CC=CC=C2)(C)[H])COC(C=2C=CC(N(=O)=O)=CC2)=O)=O)=CC1 |
