| SpectraBase Spectrum ID |
F64S5jY0G42 |
| Name |
2C-E-M isomer-2 2TFA |
| Classification |
Designer drug |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
429.101091624 u |
| Formula |
C17H17NO5F6 |
| InChI |
InChI=1S/C17H17F6NO5/c1-4-10-7-12(28-3)11(8-13(10)29-15(27)17(21,22)23)5-6-24(9(2)25)14(26)16(18,19)20/h7-8H,4-6H2,1-3H3 |
| InChIKey |
CKKUKNQRTQXUBV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
429.315 g/mol |
| SMILES |
C(=O)(C(F)(F)F)Oc1c(CC)cc(c(CCN(C(C)=O)C(=O)C(F)(F)F)c1)OC |
| SPLASH |
splash10-00di-0090000000-05c62fdd35195e4219b4 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
2C-E-M (O-demethyl- N-acetyl-) isomer- TFA
4-Ethyl-2,5-dimethoxyphenethylamine-M (O-demethyl- N-acetyl-) isomer-2 2TFA |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_7111 |
