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1,3-Pentadiene-1,5-diol, dibenzoate, (E,E)-
SpectraBase Compound ID 5s4RvBwz1UT
InChI InChI=1S/C19H16O4/c20-18(16-10-4-1-5-11-16)22-14-8-3-9-15-23-19(21)17-12-6-2-7-13-17/h1-14H,15H2/b9-3+,14-8+
InChIKey KMOSLAWFZSPNDJ-RVPDKONISA-N
Mol Weight 308.33 g/mol
Molecular Formula C19H16O4
Exact Mass 308.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xUqTvIumva
Name 1,3-Pentadiene-1,5-diol, dibenzoate, (E,E)-
Alternate Name(s) (2E,4E)-5-(benzoyloxy)-2,4-pentadienyl benzoate 1,5-bis(benzoyloxy)-1(E),3(E)-pentadiene
CAS Registry Number 114155-60-1
Comments Less than 3 mono-isotopic peaks
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Formula C19H16O4
InChI InChI=1S/C19H16O4/c20-18(16-10-4-1-5-11-16)22-14-8-3-9-15-23-19(21)17-12-6-2-7-13-17/h1-14H,15H2/b9-3+,14-8+
InChIKey KMOSLAWFZSPNDJ-RVPDKONISA-N
Molecular Weight 308.333 g/mol
SMILES C(=O)(c1ccccc1)O\C=C\C=C\COC(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-df8814ad8bc1b8e0c5f1
Source of Spectrum J-53-1870-33
Wiley ID 1310000