| SpectraBase Spectrum ID |
DmqKXb6NvCV |
| Name |
Isothipendyl-M (HO-) |
| Classification |
Antihistamine |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
301.124883417 u |
| Formula |
C16H19N3OS |
| InChI |
InChI=1S/C16H19N3OS/c1-11(18(2)3)10-19-12-6-4-5-7-13(12)21-14-8-9-15(20)17-16(14)19/h4-9,11H,10H2,1-3H3,(H,17,20) |
| InChIKey |
DHZJCMJBZWWFMG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
301.408 g/mol |
| SMILES |
c12Sc3c(cccc3)N(CC(N(C)C)C)c2nc(cc1)O |
| SPLASH |
splash10-00di-9222000000-ce39f0577558f5eb67e7 |
| 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: UHY |
| 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_1665 |
