| SpectraBase Spectrum ID |
hTNlK6IMnz |
| Name |
2-(Methoxycarbonyloxy)-2-(4-methoxyphenyl)acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.068807834 u |
| Formula |
C11H11NO4 |
| InChI |
InChI=1S/C11H11NO4/c1-14-9-5-3-8(4-6-9)10(7-12)16-11(13)15-2/h3-6,10H,1-2H3 |
| InChIKey |
JYUBGGGQRIGCEL-UHFFFAOYSA-N |
| Molecular Weight |
221.212 g/mol |
| SMILES |
C(C(C=1C=CC(=CC1)OC)OC(=O)OC)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949496 |
