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4-Nitro-4-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]heptanedioic acid
SpectraBase Compound ID Jx3vKAU9ckC
InChI InChI=1S/C26H41NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(27(32)33,22-19-24(28)29)23-20-25(30)31/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3,(H,28,29)(H,30,31)/b7-6-,10-9-,13-12-,16-15-
InChIKey IFYBQWUHHYSNTO-DOFZRALJSA-N
Mol Weight 463.6 g/mol
Molecular Formula C26H41NO6
Exact Mass 463.293388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yu1Ur30hwn
Name 4-Nitro-4-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]heptanedioic acid
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Formula C26H41NO6
InChI InChI=1S/C26H41NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(27(32)33,22-19-24(28)29)23-20-25(30)31/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3,(H,28,29)(H,30,31)/b7-6-,10-9-,13-12-,16-15-
InChIKey IFYBQWUHHYSNTO-DOFZRALJSA-N
Molecular Weight 463.615 g/mol
SMILES OC(CCC(CCC(=O)O)(N(=O)=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)=O
SPLASH splash10-05ox-9510000000-9b374c20f60e4a6beb46
Source of Spectrum SO-0-456-8
Synonyms 4-Nitro-4-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]pimelic acid
Wiley ID 864221