| SpectraBase Spectrum ID |
2ng3HMpSe4O |
| Name |
O-Butyl-O-methyl-methylphosphonate |
| CAS Registry Number |
683-32-9 |
| Classification |
Chemical warfare agent artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
166.075881338 u |
| Formula |
C6H15O3P |
| InChI |
InChI=1S/C6H15O3P/c1-4-5-6-9-10(3,7)8-2/h4-6H2,1-3H3 |
| InChIKey |
GGDMDPJAZASFLC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
166.157 g/mol |
| Nominal Mass |
166 u |
| Quality |
917 |
| Retention Index |
1087 |
| SMILES |
C(OP(OC)(=O)C)CCC |
| SPLASH |
splash10-03dl-8900000000-b51207b98716779309bd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
VR-gas hydrolysis product ME
butyl methyl methylphosphonate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003342 |
