| SpectraBase Spectrum ID |
9PQSrZYKraY |
| Name |
Acetonitrile, (7-methoxy-5,5,7-trimethyl-3-oxepanylidene)-, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
209.141578854 u |
| Formula |
C12H19NO2 |
| InChI |
InChI=1S/C12H19NO2/c1-11(2)7-10(5-6-13)8-15-12(3,9-11)14-4/h5H,7-9H2,1-4H3/b10-5- |
| InChIKey |
OHPVWNMEWKIYMT-YHYXMXQVSA-N |
| Molecular Weight |
209.289 g/mol |
| SMILES |
C1(OC\C(=C/C#N)CC(C1)(C)C)(OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943737 |
