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2-(tert-butoxycarbonylamino)-6,6-dimethyl-5-phenyl-hepta-3,4-dienoic acid ethyl ester
SpectraBase Compound ID DuIOr9rFudr
InChI InChI=1S/C22H31NO4/c1-8-26-19(24)18(23-20(25)27-22(5,6)7)15-14-17(21(2,3)4)16-12-10-9-11-13-16/h9-13,15,18H,8H2,1-7H3,(H,23,25)
InChIKey KTRHQJHCXVBRTP-UHFFFAOYSA-N
Mol Weight 373.49 g/mol
Molecular Formula C22H31NO4
Exact Mass 373.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILQRoKKxRz3
Name 2-(tert-butoxycarbonylamino)-6,6-dimethyl-5-phenyl-hepta-3,4-dienoic acid ethyl ester
Alternate Name(s) 6,6-Dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenylhepta-3,4-dienoic acid ethyl ester Ethyl 2-(tert-butoxycarbonylamino)-6,6-dimethyl-5-phenyl-hepta-3,4-dienoate Ethyl 6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-hepta-3,4-dienoate
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Formula C22H31NO4
InChI InChI=1S/C22H31NO4/c1-8-26-19(24)18(23-20(25)27-22(5,6)7)15-14-17(21(2,3)4)16-12-10-9-11-13-16/h9-13,15,18H,8H2,1-7H3,(H,23,25)
InChIKey KTRHQJHCXVBRTP-UHFFFAOYSA-N
Molecular Weight 373.493 g/mol
SMILES N(C(OC(C)(C)C)=O)C(C(=O)OCC)C=C=C(C(C)(C)C)c1ccccc1
SPLASH splash10-014u-0659000000-babf73211d84c7e44b7e
Source of Spectrum C5-2002-1768-9
Wiley ID 1614902