| SpectraBase Spectrum ID |
DkC2V9ozhIW |
| Name |
Ketotifen |
| CAS Registry Number |
34580-13-7 |
| Classification |
Pharmaceutical drug, anti-allergic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
309.118735409 u |
| Formula |
C19H19NOS |
| InChI |
InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3 |
| InChIKey |
ZCVMWBYGMWKGHF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
309.427 g/mol |
| Nominal Mass |
309 u |
| Quality |
951 |
| Retention Index |
2607 |
| SMILES |
C1(C2=C(C(CC=3C1=CC=CC3)=O)SC=C2)=C1CCN(CC1)C |
| SPLASH |
splash10-0a4i-8697000000-ae751b172d11dc22ede7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(1-Methyl-4-piperidylidene)-4H-benzo-[4,5]cyclohepta[1,2-b]thiophen-10(9H)-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001803 |
