| SpectraBase Spectrum ID |
2wVYnYJ4pk |
| Name |
Pentoxyverine-M (deethyl-HO-) 2AC |
| Classification |
Antitussive |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
405.215137716 u |
| Formula |
C22H31NO6 |
| InChI |
InChI=1S/C22H31NO6/c1-4-23(17(2)24)13-14-27-15-16-28-21(26)22(11-5-6-12-22)19-7-9-20(10-8-19)29-18(3)25/h7-10H,4-6,11-16H2,1-3H3 |
| InChIKey |
DOQQMFZKBKZPLR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
405.491 g/mol |
| SMILES |
C1CC(CC1)(c1ccc(cc1)OC(=O)C)C(=O)OCCOCCN(CC)C(C)=O |
| SPLASH |
splash10-0a4i-5900000000-e095cbe2f0abc2077727 |
| 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: 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_6486 |
