| SpectraBase Spectrum ID |
4MJM6T1XNJ |
| Name |
Vanillic acid MEAC @ |
| Classification |
Chemical |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
224.068473481 u |
| Formula |
C11H12O5 |
| InChI |
InChI=1S/C11H12O5/c1-7(12)16-9-5-4-8(11(13)15-3)6-10(9)14-2/h4-6H,1-3H3 |
| InChIKey |
BHQRCCUOSHDJQC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
224.212 g/mol |
| Related CAS Registry Number(s) |
3943-74-6 |
| SMILES |
C(c1cc(OC)c(cc1)OC(=O)C)(=O)OC |
| SPLASH |
splash10-0ue9-1900000000-188672d7c3971b7ef437 |
| 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 |
Mebeverine-M (vanillic acid) MEAC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5328 |
