| SpectraBase Compound ID | u80JDIYo1x |
|---|---|
| InChI | InChI=1S/C27H19N2O4PS3/c30-28(31)26-17-13-18-15-36-24-11-5-2-8-21(24)34(20-7-1-4-10-23(20)35-14-17)22-9-3-6-12-25(22)37-16-19(26)27(18)29(32)33/h1-13H,14-16H2 |
| InChIKey | ZIAKBKHPVIRFEA-UHFFFAOYSA-N |
| Mol Weight | 562.61 g/mol |
| Molecular Formula | C27H19N2O4PS3 |
| Exact Mass | 562.024458 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GzrmYQDn5ew |
|---|---|
| Name | Dinitrophosphaphane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H19N2O4PS3 |
| InChI | InChI=1S/C27H19N2O4PS3/c30-28(31)26-17-13-18-15-36-24-11-5-2-8-21(24)34(20-7-1-4-10-23(20)35-14-17)22-9-3-6-12-25(22)37-16-19(26)27(18)29(32)33/h1-13H,14-16H2 |
| InChIKey | ZIAKBKHPVIRFEA-UHFFFAOYSA-N |
| Molecular Weight | 562.613 g/mol |
| SMILES | c12P3c4c(SCc5c(c(CSc2cccc1)c(c(c5)CSc1c3cccc1)N(=O)=O)N(=O)=O)cccc4 |
| SPLASH | splash10-060r-0955120000-7446ece7706673fc261e |
| Source of Spectrum | J-58-3506-4 |
| Synonyms | 11,13-dinitro-8,16,29-trithia-1-phosphahexacyclo[10.10.8.1(10,14).0(2,7).0(17,22).0(23,28)]hentriaconta-2,4,6,10,12,14(31),17,19,21,23,25,27-dodecaene |
| Wiley ID | 1406880 |