| SpectraBase Spectrum ID |
6fKd94qSkxg |
| Name |
5-Toet bis(hydroxyethyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.186814969 u |
| Formula |
C17H29NO3S |
| InChI |
InChI=1S/C17H29NO3S/c1-5-14-11-16(21-3)15(12-17(14)22-4)10-13(2)18(6-8-19)7-9-20/h11-13,19-20H,5-10H2,1-4H3 |
| InChIKey |
IABAMIZZCCEACX-UHFFFAOYSA-N |
| Molecular Weight |
327.483 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)SC)CC)OC)CC(N(CCO)CCO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854941 |
