| SpectraBase Compound ID | fKcYrq7coO |
|---|---|
| InChI | InChI=1S/C15H18F3NOS/c1-3-5-10-19-14(20)21-13(4-2)11-6-8-12(9-7-11)15(16,17)18/h4,6-9,13H,2-3,5,10H2,1H3,(H,19,20) |
| InChIKey | MDTGMIFXZAUKNH-UHFFFAOYSA-N |
| Mol Weight | 317.37 g/mol |
| Molecular Formula | C15H18F3NOS |
| Exact Mass | 317.10612 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9Qbrb5R3KM5 |
|---|---|
| Name | S-(1-(4-(trifluoromethyl)phenyl)allyl) butylcarbamothioate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H18F3NOS |
| InChI | InChI=1S/C15H18F3NOS/c1-3-5-10-19-14(20)21-13(4-2)11-6-8-12(9-7-11)15(16,17)18/h4,6-9,13H,2-3,5,10H2,1H3,(H,19,20) |
| InChIKey | MDTGMIFXZAUKNH-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/jo1006152 |
| Molecular Weight | 317.370 g/mol |
| SMILES | N(C(SC(c1ccc(cc1)C(F)(F)F)C=C)=O)CCCC |
| SPLASH | splash10-014r-1930000000-b6bfe3de6b8218546d07 |
| Source of Spectrum | J-75-4615/SMS10-2b |
| Wiley ID | 1751663 |