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2,4-dihydroxy-6-(2'-oxoheptyl)benzaldehyde
SpectraBase Compound ID 1MLFehdMFmV
InChI InChI=1S/C14H18O4/c1-2-3-4-5-11(16)6-10-7-12(17)8-14(18)13(10)9-15/h7-9,17-18H,2-6H2,1H3
InChIKey CFOANJZUDDVCPD-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lx1BXMe4Vx
Name 2,4-dihydroxy-6-(2'-oxoheptyl)benzaldehyde
Alternate Name(s) 2,4-dihydroxy-6-(2-oxoheptyl)benzaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-2-3-4-5-11(16)6-10-7-12(17)8-14(18)13(10)9-15/h7-9,17-18H,2-6H2,1H3
InChIKey CFOANJZUDDVCPD-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES Oc1cc(cc(c1C=O)CC(=O)CCCCC)O
SPLASH splash10-00di-9000000000-67f146484b634cf35754
Source of Spectrum JA-50-479-0
Wiley ID 1253371