| SpectraBase Spectrum ID |
9iWOKq4L2xr |
| Name |
Tertatolol AC |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
337.171164904 u |
| Formula |
C18H27NO3S |
| InChI |
InChI=1S/C18H27NO3S/c1-13(20)22-15(11-19-18(2,3)4)12-21-16-9-5-7-14-8-6-10-23-17(14)16/h5,7,9,15,19H,6,8,10-12H2,1-4H3 |
| InChIKey |
HQZIQCORJRZWBR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
337.478 g/mol |
| Nominal Mass |
337 u |
| Quality |
929 |
| Retention Index |
2519 |
| SMILES |
C12=C(OCC(CNC(C)(C)C)OC(=O)C)C=CC=C2CCCS1 |
| SPLASH |
splash10-01bi-6911000000-50887fc2dc76fdf91fc1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(tert-butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007977 |
