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2-Butyl 4-oxo-[1,3-a]-naphthodioxane
SpectraBase Compound ID JNe5pand5BU
InChI InChI=1S/C16H16O3/c1-2-3-8-14-18-15-12-7-5-4-6-11(12)9-10-13(15)16(17)19-14/h4-7,9-10,14H,2-3,8H2,1H3
InChIKey MBJJUZUKSGXNFB-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 6CbvT9hPMa7
Name 2-Butyl 4-oxo-[1,3-a]-naphthodioxane
Appearance Colourless crystals
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Exact Mass 256.109944372 u
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-2-3-8-14-18-15-12-7-5-4-6-11(12)9-10-13(15)16(17)19-14/h4-7,9-10,14H,2-3,8H2,1H3
InChIKey MBJJUZUKSGXNFB-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 85
SMILES C1=CC2=C(C=C1)C=CC1=C2OC(OC1=O)CCCC
SPLASH splash10-00di-0900000000-dc3b1e36274b3bde3c82
Source of Spectrum ARK-2001-103-6d (DOI: 10.3998/ark.5550190.0002.810)
Thin-Layer Chromatography 0.35
Wiley ID 1908902