| SpectraBase Spectrum ID |
2pQ47cwo1ey |
| Name |
N,N-Bis-phenethyl-1-(3,4-methylenedioxyphenyl)butan-2-amine |
| Classification |
Methylenedioxyphenylbutanamine designer drug |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
401.235479240 u |
| Formula |
C27H31NO2 |
| InChI |
InChI=1S/C27H31NO2/c1-2-25(19-24-13-14-26-27(20-24)30-21-29-26)28(17-15-22-9-5-3-6-10-22)18-16-23-11-7-4-8-12-23/h3-14,20,25H,2,15-19,21H2,1H3 |
| InChIKey |
ZDKTXGVBOWETPH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
401.550 g/mol |
| Nominal Mass |
401 u |
| Quality |
997 |
| Retention Index |
3063 |
| SMILES |
C1=2C(=CC=C(C2)CC(N(CCC2=CC=CC=C2)CCC=2C=CC=CC2)CC)OCO1 |
| SPLASH |
splash10-014i-4690000000-77aadef8520f9e67f6f7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Butan-2-amine,N,N-Bis-phenethyl-1-(3,4-methylenedioxyphenyl)
1-(1,3-benzodioxol-5-yl)-N,N-bis(2-phenylethyl)butan-2-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005933 |
