| SpectraBase Spectrum ID |
EZoyhjW2dHM |
| Name |
Paracetamol-M (HO-) 3AC @ |
| Classification |
Analgesic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
251.079372518 u |
| Formula |
C12H13NO5 |
| InChI |
InChI=1S/C12H13NO5/c1-7(14)13-10-4-5-11(17-8(2)15)12(6-10)18-9(3)16/h4-6H,1-3H3,(H,13,14) |
| InChIKey |
VXXOALHMZUODMU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
251.238 g/mol |
| SMILES |
c1c(c(cc(c1)NC(=O)C)OC(=O)C)OC(=O)C |
| SPLASH |
splash10-00or-1910000000-75a42d6dcc7040746703 |
| 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. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Acetaminophen-M (HO-) 3AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2384 |
