| SpectraBase Spectrum ID |
CFVs9iU8f45 |
| Name |
2-Cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide compound with N,N,N-triethylamine (1:1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.226371105 u |
| Formula |
C22H31N3O5 |
| InChI |
InChI=1S/C16H16N2O5.C6H15N/c1-16(2)22-14(20)12(15(21)23-16)11(10(8-17)13(18)19)9-6-4-3-5-7-9;1-4-7(5-2)6-3/h3-7,10-11,20H,1-2H3,(H2,18,19);4-6H2,1-3H3 |
| InChIKey |
UDTQHIUWHJPRQU-UHFFFAOYSA-N |
| SMILES |
CCN(CC)CC.OC1=C(C(C(C(=O)N)C#N)C=2C=CC=CC2)C(OC(O1)(C)C)=O |
