| SpectraBase Spectrum ID |
4ew5p3gy87E |
| Name |
4-Toluenesulfonic acid ethylester @ |
| CAS Registry Number |
80-40-0 |
| Classification |
Chemical |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
200.050715417 u |
| Formula |
C9H12O3S |
| InChI |
InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey |
VRZVPALEJCLXPR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
200.252 g/mol |
| SMILES |
Cc1ccc(S(OCC)(=O)=O)cc1 |
| SPLASH |
splash10-052f-9510000000-ee4c0127fc4fd2433aba |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
4-Toluenesulfonic acid ET |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_3147 |
