| SpectraBase Spectrum ID |
2lcu5NKAwme |
| Name |
N-Methyl-1-(3,4-methylenedioxyphenyl)butan-2-amine-D5 PFO |
| Classification |
Deuterated reference standard derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
608.120449551 u |
| Formula |
C20H11D5F15NO3 |
| InChI |
InChI=1S/C20H16F15NO3/c1-3-10(6-9-4-5-11-12(7-9)39-8-38-11)36(2)13(37)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h4-5,7,10H,3,6,8H2,1-2H3/i2D3,6D,10D |
| InChIKey |
FGVWOBZFUMIHBF-OERPMWGVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
608.359 g/mol |
| Nominal Mass |
608 u |
| Quality |
876 |
| Retention Index |
4478 |
| SMILES |
C(C(C(C(C(N(C(C(C=1C=C2C(=CC1)OCO2)[D])(CC)[D])C([D])([D])[D])=O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| SPLASH |
splash10-00fr-0900600000-4883e24c99d61303269d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
MBDB-D5 PFO
N-(1-(1,3-benzodioxol-5-yl)(1,2-2H2)butan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-\r(2H3)methyloctanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002843 |
