| SpectraBase Spectrum ID |
2miEkl7RQ9o |
| Name |
1-(2-Methoxy-3,4-methylenedioxyphenyl)butan-2-amine 2TFA I |
| Classification |
Phenylbutanamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
415.085441560 u |
| Formula |
C16H15F6NO5 |
| InChI |
InChI=1S/C16H15F6NO5/c1-3-8(23-14(25)16(20,21)22)4-7-5-9(13(24)15(17,18)19)11-12(10(7)26-2)28-6-27-11/h5,8H,3-4,6H2,1-2H3,(H,23,25) |
| InChIKey |
FAXDEYGRCJHTKI-UHFFFAOYSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
415.288 g/mol |
| Nominal Mass |
415 u |
| Reagent Gas |
Methane |
| Retention Index |
3050 |
| SMILES |
C1(=C2C(=C(C(=C1)CC(NC(C(F)(F)F)=O)CC)OC)OCO2)C(C(F)(F)F)=O |
| SPLASH |
splash10-014i-1014900000-6f1f7a00b5870c19530c |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trifluoro-N-(1-(4-methoxy-7-(trifluoroacetyl)-1,3-benzodioxol-5-yl)butan-2-yl)acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002023 |
