| SpectraBase Spectrum ID |
I1HcSfhK3OZ |
| Name |
2,5-bis(N-Acetyl-N-allylamino)-1-bromo-3,6-diacetoxy-4-methylbenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.089599527 u |
| Formula |
C21H25BrN2O6 |
| InChI |
InChI=1S/C21H25BrN2O6/c1-8-10-23(13(4)25)18-12(3)20(29-15(6)27)19(24(11-9-2)14(5)26)17(22)21(18)30-16(7)28/h8-9H,1-2,10-11H2,3-7H3 |
| InChIKey |
URXAXQIKGYHSKF-UHFFFAOYSA-N |
| Molecular Weight |
481.343 g/mol |
| SMILES |
C=1(C(=C(OC(=O)C)C(=C(C1OC(=O)C)C)N(C(=O)C)CC=C)Br)N(C(=O)C)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961964 |
