| SpectraBase Spectrum ID |
EHh5bBvgLUl |
| Name |
2-Acetoxy-2-(3,4-diacetyloxyphenyl)acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.074287137 u |
| Formula |
C14H13NO6 |
| InChI |
InChI=1S/C14H13NO6/c1-8(16)19-12-5-4-11(6-13(12)20-9(2)17)14(7-15)21-10(3)18/h4-6,14H,1-3H3 |
| InChIKey |
ONJRPCWQXAPQDP-UHFFFAOYSA-N |
| SMILES |
C(C(C=1C=C(C(=CC1)OC(=O)C)OC(=O)C)OC(=O)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917789 |
