| SpectraBase Spectrum ID |
KQMe1iRGMSA |
| Name |
Ethyl (2E,3E)-3-ethoxy-5,5-dimethyl-2-(2-nitrobenzylidene)hex-3-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.173272904 u |
| Formula |
C19H25NO5 |
| InChI |
InChI=1S/C19H25NO5/c1-6-24-17(13-19(3,4)5)15(18(21)25-7-2)12-14-10-8-9-11-16(14)20(22)23/h8-13H,6-7H2,1-5H3/b15-12+,17-13+ |
| InChIKey |
ITLSDAYAPOOBMV-KDOCSACZSA-N |
| Molecular Weight |
347.411 g/mol |
| SMILES |
C=1(\C=C/(\C(=C/C(C)(C)C)OCC)C(=O)OCC)C(N(=O)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864482 |
