| SpectraBase Spectrum ID |
AX7b82iU3c4 |
| Name |
5MT-NB3I HFB |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
602.030119967 u |
| Formula |
C22H18N2O2IF7 |
| InChI |
InChI=1S/C22H18F7IN2O2/c1-34-16-5-6-18-17(10-16)14(11-31-18)7-8-32(12-13-3-2-4-15(30)9-13)19(33)20(23,24)21(25,26)22(27,28)29/h2-6,9-11,31H,7-8,12H2,1H3 |
| InChIKey |
XOLJLONDRKPNLJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
602.291 g/mol |
| SMILES |
c1(ccc2c(c1)c(c[nH]2)CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)Cc1cc(ccc1)I)OC |
| SPLASH |
splash10-03di-1910000000-80381ddcae3f823fb94f |
| 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 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_9925 |
