| SpectraBase Spectrum ID |
8H69u01hfCy |
| Name |
a,b-D2-Mescaline CS2 |
| Classification |
Deuterated reference standard derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
255.089818010 u |
| Formula |
C12H13D2NO3S |
| InChI |
InChI=1S/C12H15NO3S/c1-14-10-6-9(4-5-13-8-17)7-11(15-2)12(10)16-3/h6-7H,4-5H2,1-3H3/i4D,5D |
| InChIKey |
RZLAHZWXEAROQW-KFRNQKGQSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
255.328 g/mol |
| Nominal Mass |
255 u |
| Quality |
1000 |
| Retention Index |
2064 |
| SMILES |
C=1(C(=CC(C(C(N=C=S)[D])[D])=CC1OC)OC)OC |
| SPLASH |
splash10-001i-6910000000-36dc1894011ed73da71a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(2-isothiocyanato(1,2-2H2)ethyl)-1,2,3-trimethoxybenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018964 |
