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3-{3'-[3"-(6'"-Bromobenzo[1,3]dioxol-5'"-ylpropyl)amino]propyl}cyclohexenyl acetate
SpectraBase Compound ID 8tnczRYHcJx
InChI InChI=1S/C21H28BrNO4/c1-15(24)27-18-8-2-5-16(11-18)6-3-9-23-10-4-7-17-12-20-21(13-19(17)22)26-14-25-20/h11-13,16,23H,2-10,14H2,1H3
InChIKey LJYLZVNCICWXEO-UHFFFAOYSA-N
Mol Weight 438.36 g/mol
Molecular Formula C21H28BrNO4
Exact Mass 437.120171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32dV54UKMxq
Name 3-{3'-[3"-(6'"-Bromobenzo[1,3]dioxol-5'"-ylpropyl)amino]propyl}cyclohexenyl acetate
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Formula C21H28BrNO4
InChI InChI=1S/C21H28BrNO4/c1-15(24)27-18-8-2-5-16(11-18)6-3-9-23-10-4-7-17-12-20-21(13-19(17)22)26-14-25-20/h11-13,16,23H,2-10,14H2,1H3
InChIKey LJYLZVNCICWXEO-UHFFFAOYSA-N
Molecular Weight 438.362 g/mol
SMILES N(CCCc1cc2c(cc1Br)OCO2)CCCC1C=C(OC(=O)C)CCC1
SPLASH splash10-0k95-3495000000-2705dea489ee25910c03
Source of Spectrum K1-2000-2438-11
Wiley ID 814736