| SpectraBase Spectrum ID |
KnBMNBCzCx9 |
| Name |
2,3,3-Trimethyl-5-methylthio-2-[5-allylthio-3,3-dimethyl-3,4(2H)-dihydro-2-pyrrolylidenemethyl]-3,4(2H)-dihydropyrrole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.169391258 u |
| Formula |
C18H28N2S2 |
| InChI |
InChI=1S/C18H28N2S2/c1-8-9-22-14-11-16(2,3)13(19-14)10-18(6)17(4,5)12-15(20-18)21-7/h8,10H,1,9,11-12H2,2-7H3/b13-10- |
| InChIKey |
IBHUJKSCBLAHBA-RAXLEYEMSA-N |
| Molecular Weight |
336.556 g/mol |
| SMILES |
CC1(C)C(C)(\C=C\2C(C)(C)CC(=N2)SCC=C)N=C(C1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837121 |
![2,3,3-Trimethyl-5-methylthio-2-[5-allylthio-3,3-dimethyl-3,4(2H)-dihydro-2-pyrrolylidenemethyl]-3,4(2H)-dihydropyrrole](/api/spectrum/KnBMNBCzCx9/structure.png?h=300&w=458 "2,3,3-Trimethyl-5-methylthio-2-[5-allylthio-3,3-dimethyl-3,4(2H)-dihydro-2-pyrrolylidenemethyl]-3,4(2H)-dihydropyrrole")
