| SpectraBase Spectrum ID |
8F6yjjSaFxw |
| Name |
4-Methoxy-thiobenzoic acid-phenyl ester |
| CAS Registry Number |
21122-37-2 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
244.055800798 u |
| Formula |
C14H12O2S |
| InChI |
InChI=1S/C14H12O2S/c1-16-12-9-7-11(8-10-12)14(15)17-13-5-3-2-4-6-13/h2-10H,1H3 |
| InChIKey |
HLPIUBYKAZDTHR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
244.308 g/mol |
| Nominal Mass |
244 u |
| Quality |
893 |
| Retention Index |
1772 |
| SMILES |
C1(C(SC=2C=CC=CC2)=O)=CC=C(C=C1)OC |
| SPLASH |
splash10-000i-6900000000-877818ddf273cfc32025 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzenecarbothioic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004423 |
