SpectraBase Spectrum ID |
9b7ujmvSshz |
Name |
11-(2-Hydroxyethyl)-9,13-dihydroxy-1,4,7-trioxa-11-azacyclotetradecane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
279.168187523 u |
Formula |
C12H25NO6 |
InChI |
InChI=1S/C12H25NO6/c14-2-1-13-7-11(15)9-18-5-3-17-4-6-19-10-12(16)8-13/h11-12,14-16H,1-10H2 |
InChIKey |
SSFODZOIVPFICB-UHFFFAOYSA-N |
Molecular Weight |
279.333 g/mol |
SMILES |
C1OCC(CN(CC(COCCOC1)O)CCO)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981747 |