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N-tert-Butoxycarbonyl-2-[3-(3',4',5-trimethoxybiphen-2-yl)prop-2-ynyl]piperidine
SpectraBase Compound ID Ijv2Om3Lb1j
InChI InChI=1S/C28H35NO5/c1-28(2,3)34-27(30)29-17-8-7-11-22(29)12-9-10-20-13-15-23(31-4)19-24(20)21-14-16-25(32-5)26(18-21)33-6/h13-16,18-19,22H,7-8,11-12,17H2,1-6H3
InChIKey CAYKWKHFDCVMQS-UHFFFAOYSA-N
Mol Weight 465.6 g/mol
Molecular Formula C28H35NO5
Exact Mass 465.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AySBibsInI
Name N-tert-Butoxycarbonyl-2-[3-(3',4',5-trimethoxybiphen-2-yl)prop-2-ynyl]piperidine
Alternate Name(s) 2-[3-[2-(3,4-dimethoxyphenyl)-4-methoxyphenyl]prop-2-ynyl]-1-piperidinecarboxylic acid tert-butyl ester tert-Butyl 2-[3-[2-(3,4-dimethoxyphenyl)-4-methoxyphenyl]prop-2-ynyl]piperidine-1-carboxylate tert-Butyl 2-[3-[2-(3,4-dimethoxyphenyl)-4-methoxy-phenyl]prop-2-ynyl]piperidine-1-carboxylate
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Formula C28H35NO5
InChI InChI=1S/C28H35NO5/c1-28(2,3)34-27(30)29-17-8-7-11-22(29)12-9-10-20-13-15-23(31-4)19-24(20)21-14-16-25(32-5)26(18-21)33-6/h13-16,18-19,22H,7-8,11-12,17H2,1-6H3
InChIKey CAYKWKHFDCVMQS-UHFFFAOYSA-N
Molecular Weight 465.590 g/mol
SMILES C(N1C(CC#Cc2c(-c3cc(OC)c(cc3)OC)cc(cc2)OC)CCCC1)(OC(C)(C)C)=O
SPLASH splash10-0059-4900000000-bf0a6f6e2da33ad123c7
Source of Spectrum QE-12-7405-27
Wiley ID 1587303