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2-((8E,11Z)-Heptadeca-8,11-dienyl)-3-hydroxynaphthalene-1,4-dione
SpectraBase Compound ID LUtVJZhYcYl
InChI InChI=1S/C27H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25(28)22-19-17-18-20-23(22)26(29)27(24)30/h6-7,9-10,17-20,30H,2-5,8,11-16,21H2,1H3/b7-6-,10-9+
InChIKey PJEXDIZMYBYENU-IXWMQOLASA-N
Mol Weight 408.6 g/mol
Molecular Formula C27H36O3
Exact Mass 408.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qDVxIDWTU4
Name 2-((8E,11Z)-Heptadeca-8,11-dienyl)-3-hydroxynaphthalene-1,4-dione
Alternate Name(s) 2-((8E,11Z)-heptadeca-8,11-dien-1-yl)-3-hydroxynaphthalene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O3
InChI InChI=1S/C27H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25(28)22-19-17-18-20-23(22)26(29)27(24)30/h6-7,9-10,17-20,30H,2-5,8,11-16,21H2,1H3/b7-6-,10-9+
InChIKey PJEXDIZMYBYENU-IXWMQOLASA-N
Molecular Weight 408.582 g/mol
SMILES OC1=C(C(c2c(cccc2)C1=O)=O)CCCCCCC\C=C\C\C=C/CCCCC
SPLASH splash10-0ap0-9300100000-7cce73f3e0b8af06a03b
Source of Spectrum F-69-55-9
Wiley ID 1737348