| SpectraBase Spectrum ID |
9jbkwiVw89w |
| Name |
A-834,735-A |
| Classification |
Designer drug artifact |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
339.219829176 u |
| Formula |
C22H29NO2 |
| InChI |
InChI=1S/C22H29NO2/c1-16(2)22(3,4)13-21(24)19-15-23(14-17-9-11-25-12-10-17)20-8-6-5-7-18(19)20/h5-8,15,17H,1,9-14H2,2-4H3 |
| InChIKey |
SHMFIOCKSMJXSG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
339.479 g/mol |
| Nominal Mass |
339 u |
| Quality |
965 |
| Retention Index |
2831 |
| SMILES |
C=12C(C(CC(C(=C)C)(C)C)=O)=CN(C2=CC=CC1)CC1CCOCC1 |
| SPLASH |
splash10-0596-5895000000-bb0d65196992c0dc1f5e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,3,4-trimethyl-1-(1-(oxan-4-ylmethyl)-1H-indol-3-yl)pent-4-en-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017249 |
