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1-Benzoxepin-2,5-imine-4-carboxylic acid, 10-acetyl-2,3,4,5-tetrahydro-, methyl ester, (2.alpha.,4.beta.,5.alpha.)-
SpectraBase Compound ID EepVZjSWT0S
InChI InChI=1S/C14H15NO4/c1-8(16)15-12-7-10(14(17)18-2)13(15)9-5-3-4-6-11(9)19-12/h3-6,10,12-13H,7H2,1-2H3/t10?,12-,13+/m0/s1
InChIKey PAVFBYLZBOMZFW-HEVMSJOKSA-N
Mol Weight 261.28 g/mol
Molecular Formula C14H15NO4
Exact Mass 261.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ft7PyGj59RR
Name 1-Benzoxepin-2,5-imine-4-carboxylic acid, 10-acetyl-2,3,4,5-tetrahydro-, methyl ester, (2.alpha.,4.beta.,5.alpha.)-
Alternate Name(s) 6-exo-methoxycarbonyl-8-acetyl-2-oxa-8-azabenzo[c]bicyclo[3.2.1]octane Methyl 12-acetyl-8-oxa-12-azatricyclo[7.2.1.0(2,7)]dodeca-2,4,6-triene-11-carboxylate
CAS Registry Number 122373-16-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO4
InChI InChI=1S/C14H15NO4/c1-8(16)15-12-7-10(14(17)18-2)13(15)9-5-3-4-6-11(9)19-12/h3-6,10,12-13H,7H2,1-2H3/t10?,12-,13+/m0/s1
InChIKey PAVFBYLZBOMZFW-HEVMSJOKSA-N
Molecular Weight 261.277 g/mol
SMILES [C@]12(N([C@](CC2C(=O)OC)(Oc2ccccc12)[H])C(=O)C)[H]
SPLASH splash10-03di-0930000000-49677ce769eeb2793fea
Source of Spectrum AJ-62-813-21
Wiley ID 1264723