| SpectraBase Spectrum ID |
1AubVu9E92 |
| Name |
Isothipendyl |
| CAS Registry Number |
482-15-5 |
| Classification |
Antihistamine |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
285.129968798 u |
| Formula |
C16H19N3S |
| InChI |
InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3 |
| InChIKey |
OQJBSDFFQWMKBQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
285.409 g/mol |
| SMILES |
C(CN1c2c(Sc3c1nccc3)cccc2)(N(C)C)C |
| SPLASH |
splash10-00di-9000000000-ac2b5e9f740d72fd87b8 |
| 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. |
| Sample Preparation Procedure |
Detected: P-I G U+UHYAC |
| 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_1467 |
