| SpectraBase Spectrum ID |
EBjK1rxxKTR |
| Name |
(R)-Methyl 3-(4-chlorophenyl)-3-cyanopropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.040006264 u |
| Formula |
C11H10ClNO2 |
| InChI |
InChI=1S/C11H10ClNO2/c1-15-11(14)6-9(7-13)8-2-4-10(12)5-3-8/h2-5,9H,6H2,1H3/t9-/m0/s1 |
| InChIKey |
LQFDPZVOVHFIQX-VIFPVBQESA-N |
| Molecular Weight |
223.659 g/mol |
| SMILES |
C=1C=C(C=CC1Cl)[C@@](CC(OC)=O)(C#N)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816725 |
