| SpectraBase Spectrum ID |
1ngN3D6O6i |
| Name |
25I-NB3OMe |
| Classification |
Designer drug |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
427.064438569 u |
| Formula |
C18H22NO3I |
| InChI |
InChI=1S/C18H22INO3/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2/h4-6,9-11,20H,7-8,12H2,1-3H3 |
| InChIKey |
CJTZKPLDKCBUAF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
427.282 g/mol |
| SMILES |
c1c(c(CCNCc2cc(ccc2)OC)cc(OC)c1I)OC |
| SPLASH |
splash10-0fk9-2920000000-9a28c40402c275bb31e4 |
| 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_9747 |
