| SpectraBase Spectrum ID |
7qqKSznRejW |
| Name |
Dithio-2,4,6-trimethylcarbanlic acid, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.236742543 u |
| Formula |
C22H37NS2 |
| InChI |
InChI=1S/C22H37NS2/c1-5-6-7-8-9-10-11-12-13-14-15-25-22(24)23-21-19(3)16-18(2)17-20(21)4/h16-17H,5-15H2,1-4H3,(H,23,24) |
| InChIKey |
NCWGAYBIPGDYSC-UHFFFAOYSA-N |
| Molecular Weight |
379.665 g/mol |
| SMILES |
N(C1=C(C=C(C=C1C)C)C)C(SCCCCCCCCCCCC)=S |
| Spectrum/Structure Validation Score (Raman) |
0.764364 |
