| SpectraBase Spectrum ID |
7bqtw9n90eO |
| Name |
Brallobarbital 2et P1167 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.057905477 u |
| Formula |
C14H19BrN2O3 |
| InChI |
InChI=1S/C14H19BrN2O3/c1-5-8-14(9-10(4)15)11(18)16(6-2)13(20)17(7-3)12(14)19/h5H,1,4,6-9H2,2-3H3 |
| InChIKey |
RRWXOXDZERKXMY-UHFFFAOYSA-N |
| Molecular Weight |
343.221 g/mol |
| SMILES |
C(CC1(CC=C)C(=O)N(C(N(C1=O)CC)=O)CC)(Br)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9408 |
