| SpectraBase Spectrum ID |
6kRxSSwqVOr |
| Name |
5-Toet 2all |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.196985731 u |
| Formula |
C19H29NOS |
| InChI |
InChI=1S/C19H29NOS/c1-7-10-20(11-8-2)15(4)12-17-14-19(22-6)16(9-3)13-18(17)21-5/h7-8,13-15H,1-2,9-12H2,3-6H3 |
| InChIKey |
HGWLQNUCYKOYLE-UHFFFAOYSA-N |
| Molecular Weight |
319.507 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)SC)CC)OC)CC(N(CC=C)CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857954 |
