| SpectraBase Spectrum ID |
1pgn3MXqBQE |
| Name |
Vanillin mandelic acid |
| CAS Registry Number |
55-10-7 |
| Classification |
Biomolecule |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
198.052823417 u |
| Formula |
C9H10O5 |
| InChI |
InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) |
| InChIKey |
CGQCWMIAEPEHNQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
198.174 g/mol |
| SMILES |
c1(cc(OC)c(cc1)O)C(C(=O)O)O |
| SPLASH |
splash10-0gb9-5900000000-7c76294956a24e0d6fa8 |
| 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 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5138 |
