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2-(Cyclopentyloxy)-1-methoxy-4-[(3'R,4'R)-4'-nitrohex-1'-en-3'-yl]benzene
SpectraBase Compound ID DeFqiUgiSI0
InChI InChI=1S/C18H25NO4/c1-4-15(16(5-2)19(20)21)13-10-11-17(22-3)18(12-13)23-14-8-6-7-9-14/h4,10-12,14-16H,1,5-9H2,2-3H3/t15-,16-/m1/s1
InChIKey JDMISVRXWUGPBS-HZPDHXFCSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOL8gQuNgXh
Name 2-(Cyclopentyloxy)-1-methoxy-4-[(3'R,4'R)-4'-nitrohex-1'-en-3'-yl]benzene
Alternate Name(s) 2-(cyclopentyloxy)-1-methoxy-4-((3R,4R)-4-nitrohex-1-en-3-yl)benzene 2-(cyclopentoxy)-1-methoxy-4-[(1R,2R)-2-nitro-1-vinyl-butyl]benzene 2-Cyclopentyloxy-1-methoxy-4-[(3R,4R)-4-nitrohex-1-en-3-yl]benzene
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Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-4-15(16(5-2)19(20)21)13-10-11-17(22-3)18(12-13)23-14-8-6-7-9-14/h4,10-12,14-16H,1,5-9H2,2-3H3/t15-,16-/m1/s1
InChIKey JDMISVRXWUGPBS-HZPDHXFCSA-N
Literature Reference DOI 10.1021/jo400663d
Molecular Weight 319.401 g/mol
SMILES c1c(c(OC2CCCC2)cc([C@@](C=C)([C@]([N+](=O)[O-])(CC)[H])[H])c1)OC
SPLASH splash10-0w30-1921000000-762026eb8fbded256cb0
Source of Spectrum J-78-6507-2p
Wiley ID 1745530