| SpectraBase Spectrum ID |
2ui288wNaND |
| Name |
Mandelic acid ME @ |
| CAS Registry Number |
21210-43-5 |
| Classification |
Urinary antiseptic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
166.062994179 u |
| Formula |
C9H10O3 |
| InChI |
InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3 |
| InChIKey |
ITATYELQCJRCCK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
166.176 g/mol |
| SMILES |
c1c(C(O)C(OC)=O)cccc1 |
| SPLASH |
splash10-0a6r-9700000000-a8a64410b42a61fe5d52 |
| 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 |
Cyclandelate-M/artifact (mandelic acid)
Homatropine-M (mandelic acid) ME
Pemoline-M (mandelic acid) ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1071 |
