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Isovanillic acid MEAC             @
SpectraBase Compound ID yyvTPZAIxZ
InChI InChI=1S/C11H12O5/c1-7(12)16-10-6-8(11(13)15-3)4-5-9(10)14-2/h4-6H,1-3H3
InChIKey OCDPTCACMBMJMX-UHFFFAOYSA-N
Mol Weight 224.21 g/mol
Molecular Formula C11H12O5
Exact Mass 224.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImUlmME8hr9
Name Isovanillic acid MEAC @
Classification Chemical
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 224.068473481 u
Formula C11H12O5
InChI InChI=1S/C11H12O5/c1-7(12)16-10-6-8(11(13)15-3)4-5-9(10)14-2/h4-6H,1-3H3
InChIKey OCDPTCACMBMJMX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 224.212 g/mol
Related CAS Registry Number(s) 3943-74-6
SMILES c1(cc(C(=O)OC)ccc1OC)OC(=O)C
SPLASH splash10-0ue9-1900000000-807cfa34da2c19d337d6
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 (isovanillic acid) MEAC
Technique GC/MS
Wiley ID MMPW6e_5329