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Maculatic acid A

View entire compound with spectra: 1 MS (GC)

Maculatic acid A
SpectraBase Compound ID 6QpCpdVWwHd
InChI InChI=1S/C12H18O4/c1-9(6-7-11(13)14)4-3-5-10(2)8-12(15)16/h6,8H,3-5,7H2,1-2H3,(H,13,14)(H,15,16)/b9-6+,10-8-
InChIKey KSRDBWKRNKJWQI-BXXMFMFASA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OTAUinFBM
Name Maculatic acid A
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.120509056 u
Formula C12H18O4
GC Oven Program Oven temp 280oC
InChI InChI=1S/C12H18O4/c1-9(6-7-11(13)14)4-3-5-10(2)8-12(15)16/h6,8H,3-5,7H2,1-2H3,(H,13,14)(H,15,16)/b9-6+,10-8-
InChIKey KSRDBWKRNKJWQI-BXXMFMFASA-N
Instrument Name Agilent Technologies 7890 GC-5977
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804666
Molecular Weight 226.272 g/mol
Quality 971
Reported Formula C12H18O4
SMILES OC(\C=C/(CCC\C(=C\CC(=O)O)C)C)=O
SPLASH splash10-0f8a-9600000000-3cb39cdc7309506aa131
Sample Comments (2Z,7E)-3,7-dimethyldeca-2,7-diendioic acid
Source of Spectrum ACI-57-11619-4 (DOI: 10.1002/anie.201804666)
Wiley ID 1896787