| SpectraBase Spectrum ID |
APJH9JX5C0Q |
| Name |
Mandelic acid |
| CAS Registry Number |
90-64-2 |
| Classification |
Urinary antiseptic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
152.047344115 u |
| Formula |
C8H8O3 |
| InChI |
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11) |
| InChIKey |
IWYDHOAUDWTVEP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
152.149 g/mol |
| SMILES |
C(C(c1ccccc1)O)(=O)O |
| SPLASH |
splash10-0kdi-9500000000-9ae5032d92dde3e7183c |
| 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)
Pemoline-M (mandelic acid) |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5759 |
