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Dotriaconta-11,13,15,17,19,21-hexaene-dioic acid

View entire compound with spectra: 1 MS (GC)

Dotriaconta-11,13,15,17,19,21-hexaene-dioic acid
SpectraBase Compound ID 9hWZDRAKmMw
InChI InChI=1S/C32H50O4/c33-31(34)29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(35)36/h1-12H,13-30H2,(H,33,34)(H,35,36)/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
InChIKey WQJAGPUIZHYTJE-CZBFJCMTSA-N
Mol Weight 498.7 g/mol
Molecular Formula C32H50O4
Exact Mass 498.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4W9dcf8f6NH
Name Dotriaconta-11,13,15,17,19,21-hexaene-dioic acid
Alternate Name(s) (11E,13E,15E,17E,19E,21E)-11,13,15,17,19,21-dotriacontahexaenedioic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H50O4
InChI InChI=1S/C32H50O4/c33-31(34)29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(35)36/h1-12H,13-30H2,(H,33,34)(H,35,36)/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
InChIKey WQJAGPUIZHYTJE-CZBFJCMTSA-N
Molecular Weight 498.748 g/mol
SMILES OC(CCCCCCCCC\C=C\C=C\C=C\C=C\C=C\C=C\CCCCCCCCCC(=O)O)=O
SPLASH splash10-05ow-2901500000-a3ce2167cf1a6214ae7c
Source of Spectrum U1-2003-1316-5
Wiley ID 1523684