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Ethyl 4-(1,3-benzodioxol-5-yl)benzoate
SpectraBase Compound ID Jf91DqXwn0y
InChI InChI=1S/C16H14O4/c1-2-18-16(17)12-5-3-11(4-6-12)13-7-8-14-15(9-13)20-10-19-14/h3-9H,2,10H2,1H3
InChIKey NBIPIWDUYLFFDO-UHFFFAOYSA-N
Mol Weight 270.28 g/mol
Molecular Formula C16H14O4
Exact Mass 270.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8WysIAbMgr
Name Ethyl 4-(benzo[d][1,3]dioxol-5-yl)benzoate
Appearance Colorless crystals
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Exact Mass 270.089208927 u
Formula C16H14O4
InChI InChI=1S/C16H14O4/c1-2-18-16(17)12-5-3-11(4-6-12)13-7-8-14-15(9-13)20-10-19-14/h3-9H,2,10H2,1H3
InChIKey NBIPIWDUYLFFDO-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.201706609
Quality 82
Reported Formula C16H14O4
SMILES C(C)OC(C1=CC=C(C=C1)C=1C=CC2=C(OCO2)C1)=O
SPLASH splash10-00g3-0290000000-675b43cad8414f58771b
Source of Spectrum ACI-56-SM15-4k (DOI: 10.1002/anie.201706609)
Wiley ID 1896398