| SpectraBase Spectrum ID |
5qST8pFFKjy |
| Name |
(E)-2-Tert-butyl-2-(4-methoxyphenyl)-1-nitroethene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.120843408 u |
| Formula |
C13H17NO3 |
| InChI |
InChI=1S/C13H17NO3/c1-13(2,3)12(9-14(15)16)10-5-7-11(17-4)8-6-10/h5-9H,1-4H3/b12-9- |
| InChIKey |
BLTPLBSCZHGCDM-XFXZXTDPSA-N |
| Molecular Weight |
235.283 g/mol |
| SMILES |
C(\C(=C/N(=O)=O)C=1C=CC(=CC1)OC)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943064 |
