| SpectraBase Spectrum ID |
JGKH4QjaHuy |
| Name |
Oxybutynin |
| CAS Registry Number |
5633-20-5 |
| Classification |
Parasympatholytic, spasmolytic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
357.230393859 u |
| Formula |
C22H31NO3 |
| InChI |
InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3 |
| InChIKey |
XIQVNETUBQGFHX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
357.494 g/mol |
| Nominal Mass |
357 u |
| Quality |
931 |
| Retention Index |
2646 |
| SMILES |
OC(C1=CC=CC=C1)(C1CCCCC1)C(OCC#CCN(CC)CC)=O |
| SPLASH |
splash10-0006-5609000000-feeb743c9f5a4aaae4f1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Oxytrol
4-Diethylaminobut-2-ynyl-2-cyclohexyl-2-hydroxy-2-phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029923 |
