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Pentatriacontane, 13-docosenylidene-

View entire compound with spectra: 2 MS (GC)

Pentatriacontane, 13-docosenylidene-
SpectraBase Compound ID A4zsMhJvSKo
InChI InChI=1S/C47H94/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-47(44-41-38-35-32-20-17-14-11-8-5-2)45-42-39-36-33-21-18-15-12-9-6-3/h44H,4-43,45-46H2,1-3H3/b47-44+
InChIKey ODEFBSBDTQNJJW-VIFYOBDDSA-N
Mol Weight 659.3 g/mol
Molecular Formula C47H94
Exact Mass 658.735553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hiXRiPbPBT
Name Pentatriacontane, 13-docosenylidene-
Alternate Name(s) (E)-13-dodecyl-12-pentatriacontene (E)-13-dodecylpentatriacont-12-ene (E)-13-laurylpentatriacont-12-ene 13-Dodecyl-12-pentatriacontene
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Formula C47H94
InChI InChI=1S/C47H94/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-37-40-43-46-47(44-41-38-35-32-20-17-14-11-8-5-2)45-42-39-36-33-21-18-15-12-9-6-3/h44H,4-43,45-46H2,1-3H3/b47-44+
InChIKey ODEFBSBDTQNJJW-VIFYOBDDSA-N
Molecular Weight 659.269 g/mol
SMILES C(\C=C\(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCC
SPLASH splash10-0a4i-9200000000-0a686811e8e68164b27a
Wiley ID 1501742