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[1R*,2R*,5R*]-1-acetyl-2,5-diacetoxy-3-cyclohexen-1-yl p-nitrobenzoate
SpectraBase Compound ID 80Kx6eUDUnt
InChI InChI=1S/C19H19NO9/c1-11(21)19(29-18(24)14-4-6-15(7-5-14)20(25)26)10-16(27-12(2)22)8-9-17(19)28-13(3)23/h4-9,16-17H,10H2,1-3H3/t16-,17+,19-/m0/s1
InChIKey VEBBEBJUDJIQRH-SCTDSRPQSA-N
Mol Weight 405.36 g/mol
Molecular Formula C19H19NO9
Exact Mass 405.105981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bg27nF3CFL3
Name [1R*,2R*,5R*]-1-acetyl-2,5-diacetoxy-3-cyclohexen-1-yl p-nitrobenzoate
CAS Registry Number 125279-88-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO9
InChI InChI=1S/C19H19NO9/c1-11(21)19(29-18(24)14-4-6-15(7-5-14)20(25)26)10-16(27-12(2)22)8-9-17(19)28-13(3)23/h4-9,16-17H,10H2,1-3H3/t16-,17+,19-/m0/s1
InChIKey VEBBEBJUDJIQRH-SCTDSRPQSA-N
Molecular Weight 405.359 g/mol
SMILES [C@@]1(OC(c2ccc(N(=O)=O)cc2)=O)([C@@](C=C[C@@](C1)(OC(=O)C)[H])(OC(=O)C)[H])C(=O)C
SPLASH splash10-0udl-3900000000-64b5c391cdda27f648fc
Source of Spectrum J-55-1033-29
Synonyms (1R,2R,5R)-1-acetyl-2,5-bis(acetyloxy)-3-cyclohexen-1-yl 4-nitrobenzoate
Wiley ID 1371684