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endo-(1R*,2S*,4R*)-2-Acetylbicyclo[2.2.2]oct-5-en-2-yl 4-nitrobenzoate
SpectraBase Compound ID FDHqURt44wQ
InChI InChI=1S/C17H17NO5/c1-11(19)17(10-12-2-6-14(17)7-3-12)23-16(20)13-4-8-15(9-5-13)18(21)22/h2,4-6,8-9,12,14H,3,7,10H2,1H3/t12-,14-,17-/m1/s1
InChIKey AEEVXWKBPGZXPK-SUYBPPKGSA-N
Mol Weight 315.33 g/mol
Molecular Formula C17H17NO5
Exact Mass 315.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2r0zBqCgpXM
Name endo-(1R*,2S*,4R*)-2-Acetylbicyclo[2.2.2]oct-5-en-2-yl 4-nitrobenzoate
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO5
InChI InChI=1S/C17H17NO5/c1-11(19)17(10-12-2-6-14(17)7-3-12)23-16(20)13-4-8-15(9-5-13)18(21)22/h2,4-6,8-9,12,14H,3,7,10H2,1H3/t12-,14-,17-/m1/s1
InChIKey AEEVXWKBPGZXPK-SUYBPPKGSA-N
Instrument Name Hewlett-Packard 5971A or Thermo-Finnigan Polaris Q or Jeol JSM-GCMat-eII or JMS-SX 102
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2017.08.008
Molecular Weight 315.325 g/mol
SMILES [C@]1(OC(c2ccc(cc2)[N+](=O)[O-])=O)(C(C)=O)C[C@@]2(C=C[C@@]1(CC2)[H])[H]
SPLASH splash10-0udi-0920000000-6f7a88f8e9981ea2e682
Source of Spectrum AJC-13-909-11a
Thin-Layer Chromatography Rf = 0.43 (hexane/EtOAc, 8:2)
Wiley ID 1857418