| SpectraBase Spectrum ID |
3GRFwL7aF2u |
| Name |
2C-PYN N,N-bis(3-bromobenzyl) |
| Classification |
Phenethylamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
555.040855111 u |
| Formula |
C27H27Br2NO2 |
| InChI |
InChI=1S/C27H27Br2NO2/c1-4-7-22-16-27(32-3)23(17-26(22)31-2)12-13-30(18-20-8-5-10-24(28)14-20)19-21-9-6-11-25(29)15-21/h5-6,8-11,14-17H,12-13,18-19H2,1-3H3 |
| InChIKey |
NSKWXHNODQKGON-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
557.326 g/mol |
| Nominal Mass |
555 u |
| Quality |
981 |
| Retention Index |
3288 |
| SMILES |
C=1(C(=CC(=C(C1)OC)C#CC)OC)CCN(CC=1C=C(C=CC1)Br)CC1=CC(=CC=C1)Br |
| SPLASH |
splash10-014i-2809000000-74c3cf1b8416124ca9d4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N,N-Bis(3-bromobenzyl)-2,5-dimethoxy-4-(prop-1-inyl)phenethylamine
N,N-Bis(3-bromobenzyl)-2-(2,5-dimethoxy-4-(prop-1-yn-1-yl)phenyl)ethan-1-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021172 |
