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(3E,8E)-1-benzyl-13-keto-1-azacyclopentadeca-3,8-diene-6,6,11-tricarboxylic acid trimethyl ester
SpectraBase Compound ID DTynieDvhHJ
InChI InChI=1S/C27H35NO7/c1-33-24(30)22-13-7-8-15-27(25(31)34-2,26(32)35-3)16-9-10-17-28(18-14-23(29)19-22)20-21-11-5-4-6-12-21/h4-12,22H,13-20H2,1-3H3/b8-7+,10-9+
InChIKey JKUPXXIMFZOXFC-XBLVEGMJSA-N
Mol Weight 485.6 g/mol
Molecular Formula C27H35NO7
Exact Mass 485.241352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFdxvl0ytqi
Name (3E,8E)-1-benzyl-13-keto-1-azacyclopentadeca-3,8-diene-6,6,11-tricarboxylic acid trimethyl ester
Alternate Name(s) (3E,8E)-13-oxo-1-(phenylmethyl)-1-azacyclopentadeca-3,8-diene-6,6,11-tricarboxylic acid trimethyl ester Trimethyl (3E,8E)-1-benzyl-13-oxo-1-azacyclopentadeca-3,8-diene-6,6,11-tricarboxylate Trimethyl (3E,8E)-13-oxidanylidene-1-(phenylmethyl)-1-azacyclopentadeca-3,8-diene-6,6,11-tricarboxylate
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Formula C27H35NO7
InChI InChI=1S/C27H35NO7/c1-33-24(30)22-13-7-8-15-27(25(31)34-2,26(32)35-3)16-9-10-17-28(18-14-23(29)19-22)20-21-11-5-4-6-12-21/h4-12,22H,13-20H2,1-3H3/b8-7+,10-9+
InChIKey JKUPXXIMFZOXFC-XBLVEGMJSA-N
Molecular Weight 485.577 g/mol
SMILES C1(C(=O)OC)(C(=O)OC)C\C=C\CC(C(=O)OC)CC(=O)CCN(C\C=C\C1)Cc1ccccc1
SPLASH splash10-0a4l-0905300000-043278862d6eade5e702
Source of Spectrum K1-2001-4202-22
Wiley ID 813571