| SpectraBase Spectrum ID |
DmT6mNvN9Ao |
| Name |
Mebendazole isomer-1 2ME |
| Classification |
Anthelmintic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
323.126991416 u |
| Formula |
C18H17N3O3 |
| InChI |
InChI=1S/C18H17N3O3/c1-20-14-10-9-13(16(22)12-7-5-4-6-8-12)11-15(14)21(2)17(20)19-18(23)24-3/h4-11H,1-3H3/b19-17- |
| InChIKey |
DHJKAOZKJWQWNS-ZPHPHTNESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
323.352 g/mol |
| Related CAS Registry Number(s) |
31431-39-7 |
| SMILES |
c1ccc(C(=O)c2ccc3c(N(\C(N3C)=N/C(=O)OC)C)c2)cc1 |
| SPLASH |
splash10-03k9-4594000000-cd478527a8401620c250 |
| 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_7544 |
