| SpectraBase Spectrum ID |
CXVh5Wsqfrs |
| Name |
Trans-3-methoxy-4-propoxy-.beta.-methyl-.beta.-nitrostyrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.115758027 u |
| Formula |
C13H17NO4 |
| InChI |
InChI=1S/C13H17NO4/c1-4-7-18-12-6-5-11(9-13(12)17-3)8-10(2)14(15)16/h5-6,8-9H,4,7H2,1-3H3/b10-8+ |
| InChIKey |
JJDJCBZOUZQCRG-CSKARUKUSA-N |
| Molecular Weight |
251.282 g/mol |
| SMILES |
C1(=CC(=CC=C1OCCC)\C=C/(C)N(=O)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960178 |
