| SpectraBase Spectrum ID |
5tkj5DwfIMP |
| Name |
Isopropyl 4-cyano-2-methyl-2-[(1'-phenylmethylidene)amino]butanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.152477890 u |
| Formula |
C16H20N2O2 |
| InChI |
InChI=1S/C16H20N2O2/c1-13(2)20-15(19)16(3,10-7-11-17)18-12-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10H2,1-3H3/b18-12+ |
| InChIKey |
OMBWPUKZKUVGAW-LDADJPATSA-N |
| Molecular Weight |
272.348 g/mol |
| SMILES |
C(C(\N=C\C=1C=CC=CC1)(CCC#N)C)(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801668 |
![Isopropyl 4-cyano-2-methyl-2-[(1'-phenylmethylidene)amino]butanoate](/api/spectrum/5tkj5DwfIMP/structure.png?h=300&w=458 "Isopropyl 4-cyano-2-methyl-2-[(1'-phenylmethylidene)amino]butanoate")
