| SpectraBase Spectrum ID |
28p3uluUXQ |
| Name |
TFMPP-M (HO-glucuronide) 4TMS |
| Classification |
Designer drug |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
710.288192677 u |
| Formula |
C29H53F3N2O7Si4 |
| InChI |
InChI=1S/C29H53F3N2O7Si4/c1-42(2,3)38-23-24(39-43(4,5)6)26(40-44(7,8)9)28(37-25(23)27(35)41-45(10,11)12)36-22-14-13-20(19-21(22)29(30,31)32)34-17-15-33-16-18-34/h13-14,19,23-26,28,33H,15-18H2,1-12H3/t23?,24-,25+,26+,28?/m1/s1 |
| InChIKey |
BVCYPXXSODKJHG-KFJYPQDKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
711.085 g/mol |
| SMILES |
c1(ccc(N2CCNCC2)cc1C(F)(F)F)OC1[C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)(C([C@@](C(=O)O[Si](C)(C)C)(O1)[H])O[Si](C)(C)C)[H])[H] |
| SPLASH |
splash10-01b9-5698000000-4d41688611162c026dd1 |
| 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 |
Trifluoromethylphenylpiperazine-M (HO-glucuronide) 4TMS |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6767 |
