| SpectraBase Spectrum ID |
F9D6hLYMuxg |
| Name |
1-Allyl-2-allyloxy-3-nitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.089543280 u |
| Formula |
C12H13NO3 |
| InChI |
InChI=1S/C12H13NO3/c1-3-6-10-7-5-8-11(13(14)15)12(10)16-9-4-2/h3-5,7-8H,1-2,6,9H2 |
| InChIKey |
SNCVGJDWZAUFMK-UHFFFAOYSA-N |
| Molecular Weight |
219.240 g/mol |
| SMILES |
C=1(C(=C(C=CC1)N(=O)=O)OCC=C)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841435 |
