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2-Butyl 4-oxo-[1,3-b]-naphthodioxane
SpectraBase Compound ID 4OjD5KBusFl
InChI InChI=1S/C16H16O3/c1-2-3-8-15-18-14-10-12-7-5-4-6-11(12)9-13(14)16(17)19-15/h4-7,9-10,15H,2-3,8H2,1H3
InChIKey WOJDSWJXPLJNKI-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALGUcuY1AvF
Name 2-Butyl 4-oxo-[1,3-b]-naphthodioxane
Appearance Colourless crystals
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Exact Mass 256.109944372 u
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-2-3-8-15-18-14-10-12-7-5-4-6-11(12)9-13(14)16(17)19-15/h4-7,9-10,15H,2-3,8H2,1H3
InChIKey WOJDSWJXPLJNKI-UHFFFAOYSA-N
Instrument Name VG micromass 70/70F or a VG TRIO-1
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.810
Molecular Weight 256.301 g/mol
Quality 94
SMILES C1=CC2=C(C=C1)C=C1C(=C2)C(OC(O1)CCCC)=O
SPLASH splash10-0229-0900000000-267f0adf3c80dcb45170
Source of Spectrum ARK-2001-101-5e (DOI: 10.3998/ark.5550190.0002.810)
Thin-Layer Chromatography 0.39
Wiley ID 1908898