| SpectraBase Spectrum ID |
DCAWbqsTkTD |
| Name |
Pellitorine |
| CAS Registry Number |
18836-52-7 |
| Classification |
Plant ingredient of Anacyclus pyrethrum |
| 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 |
223.193614428 u |
| Formula |
C14H25NO |
| InChI |
InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+ |
| InChIKey |
MAGQQZHFHJDIRE-BNFZFUHLSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
223.360 g/mol |
| Nominal Mass |
223 u |
| Quality |
988 |
| Retention Index |
1629 |
| SMILES |
C(NCC(C)C)(\C=C\C=C\CCCCC)=O |
| SPLASH |
splash10-0udj-9600000000-903657a10314335b8058 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034572 |
