| SpectraBase Spectrum ID |
9q4lAHxQv58 |
| Name |
Vitamin K5, N,N,o-triethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.177964364 u |
| Formula |
C17H23NO |
| InChI |
InChI=1S/C17H23NO/c1-5-18(6-2)16-12-13(4)17(19-7-3)15-11-9-8-10-14(15)16/h8-12H,5-7H2,1-4H3 |
| InChIKey |
KFYALYLKRKBAHB-UHFFFAOYSA-N |
| Molecular Weight |
257.377 g/mol |
| SMILES |
C12=C(C=C(C(=C2C=CC=C1)OCC)C)N(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910568 |
