| SpectraBase Spectrum ID |
9XYijcPVufY |
| Name |
2-Amino-5-cyano-6-tert-butyl-4-methylsulfanyl-4H-pyran-3-ylphosphonic acid diisopropyl ester tetrafluoroborate |
| Comments |
Note: The molecular formula of the structure shown is C17H29BF4N2O4PS - which differs from the formula reported for the mass spectrum (C17H28BF5N2O4PS) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H28BF5N2O4PS |
| InChI |
InChI=1S/C17H29N2O4PS.BF4/c1-10(2)22-24(20,23-11(3)4)13-14(25-8)12(9-18)15(17(5,6)7)21-16(13)19;2-1(3,4)5/h10-11,14H,19H2,1-8H3;/q;-1 |
| InChIKey |
KKIMPKXIXSYLFM-UHFFFAOYSA-N |
| Molecular Weight |
475.266 g/mol |
| SMILES |
NC1=C(P(OC(C)C)(OC(C)C)=O)C(C(=C(O1)C(C)(C)C)C#N)SC.[B-](F)(F)(F)F |
| SPLASH |
splash10-000g-9241000000-92fdcc7413032bef1944 |
| Source of Spectrum |
H1-48-721-3 |
| Synonyms |
2-Amino-6-tert-butyl-5-cyano-3-(diisopropoxy-phosphoryl)-4-methylsulfanyl-pyranylium; tetrafluoro borate |
| Wiley ID |
816342 |
