| SpectraBase Spectrum ID |
2bSTYAfdkM3 |
| Name |
Propallylonal ET |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| DEA Citation |
21 CFR §1308.13 (c) (3) |
| DEA Controlled Substance Form |
Any compound, mixture or preparation |
| DEA Controlled Substance Name |
Barbituric acid derivatives |
| DEA Controlled Substance Type |
Salts, isomers, derivatives and salts of isomers and derivatives |
| DEA Controlled Substances Code Number |
2100 |
| DEA Schedule |
Schedule III |
| DEA Section |
Depressants. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation which contains any quantity of the following substances having a depressant effect on the central nervous system |
| Exact Mass |
316.042255412 u |
| Formula |
C12H17BrN2O3 |
| InChI |
InChI=1S/C12H17BrN2O3/c1-5-8(13)12(7(3)4)9(16)14-11(18)15(6-2)10(12)17/h5,7-8H,1,6H2,2-4H3,(H,14,16,18) |
| InChIKey |
DSPQHHMXYDVQCX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.183 g/mol |
| Nominal Mass |
316 u |
| Quality |
997 |
| Retention Index |
1975 |
| SMILES |
C1(C(N(C(NC1=O)=O)CC)=O)(C(C=C)Br)C(C)C |
| SPLASH |
splash10-000g-9620000000-b21c4d287911a0e30ab1 |
| Sample Comments |
Ethyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(1-bromoprop-2-en-1-yl)-1-ethyl-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010036 |
