| SpectraBase Spectrum ID |
1xJEONMiD7F |
| Name |
Tertatolol-M/A (des-tert-butyl,-H2O) AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
263.097999963 u |
| Formula |
C14H17NO2S |
| InChI |
InChI=1S/C14H17NO2S/c1-11(16)15-8-4-9-17-13-7-2-5-12-6-3-10-18-14(12)13/h2,4-5,7-8H,3,6,9-10H2,1H3,(H,15,16)/b8-4+ |
| InChIKey |
QZXSIFZFEKHYNW-XBXARRHUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
263.355 g/mol |
| Nominal Mass |
263 u |
| Quality |
910 |
| Retention Index |
1998 |
| SMILES |
C1=2C(=CC=CC2OC\C=C\NC(=O)C)CCCS1 |
| SPLASH |
splash10-02t9-2920000000-519600051f0828bf6a84 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(3-(3,4-dihydro-2H-thiochromen-8-yloxy)prop-1-en-1-yl)acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007982 |
