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Diethyl 2-[1-[4-[N-(tert-Butyloxycarbonyl)amino]-3-butynyl]malonate
SpectraBase Compound ID 8yHvspJpAAB
InChI InChI=1S/C22H29NO6/c1-7-10-17(18(19(24)27-8-2)20(25)28-9-3)15-11-13-16(14-12-15)23-21(26)29-22(4,5)6/h1,11-14,17-18H,8-10H2,2-6H3,(H,23,26)
InChIKey LAXZRFFSOSRNQK-UHFFFAOYSA-N
Mol Weight 403.48 g/mol
Molecular Formula C22H29NO6
Exact Mass 403.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QiPQPcJjaH
Name Diethyl 2-[1-[4-[N-(tert-Butyloxycarbonyl)amino]-3-butynyl]malonate
Alternate Name(s) 2-[1-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]but-3-ynyl]propanedioic acid diethyl ester Diethyl 2-[1-[4-(tert-butoxycarbonylamino)phenyl]but-3-ynyl]propanedioate Diethyl 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]but-3-ynyl]propanedioate
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Formula C22H29NO6
InChI InChI=1S/C22H29NO6/c1-7-10-17(18(19(24)27-8-2)20(25)28-9-3)15-11-13-16(14-12-15)23-21(26)29-22(4,5)6/h1,11-14,17-18H,8-10H2,2-6H3,(H,23,26)
InChIKey LAXZRFFSOSRNQK-UHFFFAOYSA-N
Molecular Weight 403.475 g/mol
SMILES N(C(OC(C)(C)C)=O)c1ccc(C(C(C(=O)OCC)C(=O)OCC)CC#C)cc1
SPLASH splash10-0a4i-9211000000-be3ccac24fcdec448f0e
Source of Spectrum E1-35-4158-21
Wiley ID 1574489