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ethyl 4-[3-(2-nitrophenyl)allyl]benzoate
SpectraBase Compound ID EbE5IPVbzjw
InChI InChI=1S/C18H17NO4/c1-2-23-18(20)16-12-10-14(11-13-16)6-5-8-15-7-3-4-9-17(15)19(21)22/h3-5,7-13H,2,6H2,1H3
InChIKey OCAYBEADLUTCLQ-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17JWUUX0IC
Name ethyl 4-[3-(2-nitrophenyl)allyl]benzoate
Appearance Yellow oil
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Exact Mass 311.115758027 u
Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c1-2-23-18(20)16-12-10-14(11-13-16)6-5-8-15-7-3-4-9-17(15)19(21)22/h3-5,7-13H,2,6H2,1H3
InChIKey OCAYBEADLUTCLQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704260
Molecular Weight 311.337 g/mol
Quality 225
Reported Formula C18H17NO4
SMILES C1=CC=CC(=C1C=CCC1=CC=C(C=C1)C(OCC)=O)[N+]([O-])=O
SPLASH splash10-0295-2920000000-4afa772fe5d91266dd26
Source of Spectrum ACI-56-SM24-s26 (DOI: 10.1002/anie.201704260)
Thin-Layer Chromatography 0.34 (petroleum ether/ethyl acetate, 10:1)
Wiley ID 1896320