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3,4-Bis(benzyloxy)-5-(acetoxymethyl)-1-nitrocyclopentene
SpectraBase Compound ID JXJETyTrMXC
InChI InChI=1S/C22H23NO6/c1-16(24)27-15-19-20(23(25)26)12-21(28-13-17-8-4-2-5-9-17)22(19)29-14-18-10-6-3-7-11-18/h2-12,19,21-22H,13-15H2,1H3
InChIKey LKWZGTCRSLMZKL-UHFFFAOYSA-N
Mol Weight 397.43 g/mol
Molecular Formula C22H23NO6
Exact Mass 397.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GECegdhRdtJ
Name 3,4-Bis(benzyloxy)-5-(acetoxymethyl)-1-nitrocyclopentene
Comments Less than 3 mono-isotopic peaks
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Formula C22H23NO6
InChI InChI=1S/C22H23NO6/c1-16(24)27-15-19-20(23(25)26)12-21(28-13-17-8-4-2-5-9-17)22(19)29-14-18-10-6-3-7-11-18/h2-12,19,21-22H,13-15H2,1H3
InChIKey LKWZGTCRSLMZKL-UHFFFAOYSA-N
Molecular Weight 397.427 g/mol
SMILES C=1(C(C(OCc2ccccc2)C(C1)OCc1ccccc1)COC(=O)C)N(=O)=O
SPLASH splash10-0006-9001000000-40b5de309f72834c0eac
Source of Spectrum F-50-9970-12
Synonyms [4,5-bis(benzyloxy)-2-nitro-2-cyclopenten-1-yl]methyl acetate
Wiley ID 1367989