SpectraBase Compound ID | LXeO6cOXufz |
---|---|
InChI | InChI=1S/C12H21NO6/c1-10(14)17-7-4-13(5-8-18-11(2)15)6-9-19-12(3)16/h4-9H2,1-3H3 |
InChIKey | DJYQGDNOPVHONN-UHFFFAOYSA-N |
Mol Weight | 275.3 g/mol |
Molecular Formula | C12H21NO6 |
Exact Mass | 275.136887 g/mol |
SpectraBase Spectrum ID | FiQqJxiKyIv |
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Name | Triethanolamine triacetate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 275.136887394 u |
Formula | C12H21NO6 |
InChI | InChI=1S/C12H21NO6/c1-10(14)17-7-4-13(5-8-18-11(2)15)6-9-19-12(3)16/h4-9H2,1-3H3 |
InChIKey | DJYQGDNOPVHONN-UHFFFAOYSA-N |
SMILES | C(OC(C)=O)CN(CCOC(C)=O)CCOC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959587 |