| SpectraBase Spectrum ID |
8F2KFNvJT72 |
| Name |
Mescaline D2 N,N-bis(3-trifluoromethylbenzyl) |
| Classification |
Deuterated reference standard derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
529.202066200 u |
| Formula |
C27H25D2F6NO3 |
| InChI |
InChI=1S/C27H27F6NO3/c1-35-23-14-18(15-24(36-2)25(23)37-3)10-11-34(16-19-6-4-8-21(12-19)26(28,29)30)17-20-7-5-9-22(13-20)27(31,32)33/h4-9,12-15H,10-11,16-17H2,1-3H3/i10D,11D |
| InChIKey |
MVTWLPMQWBFEMT-MIBQVNFTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
529.520 g/mol |
| Nominal Mass |
529 u |
| Quality |
959 |
| Retention Index |
2741 |
| SMILES |
C=1(C(C(N(CC=2C=C(C(F)(F)F)C=CC2)CC=2C=C(C(F)(F)F)C=CC2)[D])[D])C=C(C(=C(C1)OC)OC)OC |
| SPLASH |
splash10-0002-0409000000-dc4a52ab1283d5c9ffbb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N,N-Bis(3-trifluoromethylbenzyl)-2-(3,4,5-trimethoxyphenyl)(1,2-2D)ethan-1-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022071 |
