| SpectraBase Spectrum ID |
JOffvrTjy3s |
| Name |
(R)-1-Acetoxy-2-cyano-3-(p-anisyl)propane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
233.105193344 u |
| Formula |
C13H15NO3 |
| InChI |
InChI=1S/C13H15NO3/c1-10(15)17-9-12(8-14)7-11-3-5-13(16-2)6-4-11/h3-6,12H,7,9H2,1-2H3/t12-/m1/s1 |
| InChIKey |
MFKAYUAIWPMBNP-GFCCVEGCSA-N |
| Molecular Weight |
233.267 g/mol |
| SMILES |
C1(OC)=CC=C(C[C@](C#N)(COC(C)=O)[H])C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864074 |
