| SpectraBase Spectrum ID |
2ZCosbD1fYc |
| Name |
2H-Thiopyran, tetrahydro-2-methyl-5-[(4-methylphenyl)methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.128571818 u |
| Formula |
C14H20S |
| InChI |
InChI=1S/C14H20S/c1-11-3-6-13(7-4-11)9-14-8-5-12(2)15-10-14/h3-4,6-7,12,14H,5,8-10H2,1-2H3 |
| InChIKey |
FKDJLFWUOCLALA-UHFFFAOYSA-N |
| Molecular Weight |
220.374 g/mol |
| SMILES |
C1SC(CCC1CC=1C=CC(=CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860657 |
![2H-Thiopyran, tetrahydro-2-methyl-5-[(4-methylphenyl)methyl]-](/api/spectrum/2ZCosbD1fYc/structure.png?h=300&w=458 "2H-Thiopyran, tetrahydro-2-methyl-5-[(4-methylphenyl)methyl]-")
