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(E)-3-(Hept-2-yn-1-ylidene)-10-iodo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-1-one
SpectraBase Compound ID 2E6wnDSc4Bn
InChI InChI=1S/C18H16INO2/c1-2-3-4-5-6-9-13-12-20-15-11-8-7-10-14(15)16(19)17(20)18(21)22-13/h7-11H,2-4,12H2,1H3/b13-9+
InChIKey JZVVZNYTDAOFBY-UKTHLTGXSA-N
Mol Weight 405.24 g/mol
Molecular Formula C18H16INO2
Exact Mass 405.022574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yvHeFsjUXp
Name (E)-3-(Hept-2-yn-1-ylidene)-10-iodo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-1-one
Appearance Yellow solid
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Exact Mass 405.022573757 u
Formula C18H16INO2
InChI InChI=1S/C18H16INO2/c1-2-3-4-5-6-9-13-12-20-15-11-8-7-10-14(15)16(19)17(20)18(21)22-13/h7-11H,2-4,12H2,1H3/b13-9+
InChIKey JZVVZNYTDAOFBY-UKTHLTGXSA-N
Instrument Name Hewlett Packard 5988A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801167
Molecular Weight 405.235 g/mol
Quality 396
Reported Formula C18H16INO2
SMILES C(\C=C/1CN2C(=C(C3=C2C=CC=C3)I)C(O1)=O)#CCCCC
SPLASH splash10-0pdi-3950500000-9eb24f764f166f52d38a
Source of Spectrum K1-2018-6324-11h (DOI: 10.1002/ejoc.201801167)
Thin-Layer Chromatography 0.54 (EtOAc/PE, 10:90)
Wiley ID 1894397