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(E)-2-benzyl-3-cyano-hex-3-ene-1,1,6-tricarboxylic acid O1,O1-ditert-butyl ester O6-methyl ester
SpectraBase Compound ID 2zSMmbxRsyX
InChI InChI=1S/C26H35NO6/c1-25(2,3)32-23(29)22(24(30)33-26(4,5)6)20(16-18-12-9-8-10-13-18)19(17-27)14-11-15-21(28)31-7/h8-10,12-14,20,22H,11,15-16H2,1-7H3/b19-14-
InChIKey FQACIPHZCBUUNQ-RGEXLXHISA-N
Mol Weight 457.6 g/mol
Molecular Formula C26H35NO6
Exact Mass 457.246438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HI9pfpvieZ9
Name (E)-2-benzyl-3-cyano-hex-3-ene-1,1,6-tricarboxylic acid O1,O1-ditert-butyl ester O6-methyl ester
Alternate Name(s) (E)-3-cyano-2-(phenylmethyl)-3-hexene-1,1,6-tricarboxylic acid O1,O1-ditert-butyl ester O6-methyl ester 1,1-Ditert-butyl 6-methyl (3E)-2-benzyl-3-cyano-3-hexene-1,1,6-tricarboxylate 1-O,1-O-ditert-butyl 6-O-methyl (E)-2-benzyl-3-cyanohex-3-ene-1,1,6-tricarboxylate 3-Benzyl-2-t-butoxycarbonyl-4-cyano-oct-4-enedioic acid, 1-t-butyl ester 8-methyl ester O1,O1-ditert-butyl O6-methyl (E)-2-benzyl-3-cyano-hex-3-ene-1,1,6-tricarboxylate O1,O1-ditert-butyl O6-methyl (E)-3-cyano-2-(phenylmethyl)hex-3-ene-1,1,6-tricarboxylate
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Formula C26H35NO6
InChI InChI=1S/C26H35NO6/c1-25(2,3)32-23(29)22(24(30)33-26(4,5)6)20(16-18-12-9-8-10-13-18)19(17-27)14-11-15-21(28)31-7/h8-10,12-14,20,22H,11,15-16H2,1-7H3/b19-14-
InChIKey FQACIPHZCBUUNQ-RGEXLXHISA-N
Molecular Weight 457.567 g/mol
SMILES C(C(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)C(\C(C#N)=C/CCC(=O)OC)Cc1ccccc1
SPLASH splash10-0006-7492000000-8d7f4a503695b5a3560b
Wiley ID 1485343