| SpectraBase Spectrum ID |
4mS9HsqU9uu |
| Name |
ile-ile, N,N'-Dimethyl-N-ethoxycarbonyl-, ethyl ester (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.262422262 u |
| Formula |
C19H36N2O5 |
| InChI |
InChI=1S/C19H36N2O5/c1-9-13(5)15(21(8)19(24)26-12-4)17(22)20(7)16(14(6)10-2)18(23)25-11-3/h13-16H,9-12H2,1-8H3 |
| InChIKey |
DIKOFYCAFXXDIE-UHFFFAOYSA-N |
| Molecular Weight |
372.506 g/mol |
| SMILES |
CCC(C(C(N(C(C(CC)C)C(OCC)=O)C)=O)N(C)C(OCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881064 |
