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tert-Butyl (4-methoxyphenyl)(pent-2-yn-1-yl)carbamate
SpectraBase Compound ID P7uUwsnNGx
InChI InChI=1S/C17H23NO3/c1-6-7-8-13-18(16(19)21-17(2,3)4)14-9-11-15(20-5)12-10-14/h9-12H,6,13H2,1-5H3
InChIKey DXRCUPILHGFXGS-UHFFFAOYSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GB8nvwDuZ0M
Name tert-Butyl (4-methoxyphenyl)(pent-2-yn-1-yl)carbamate
Appearance Colorless oil
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Exact Mass 289.167793602 u
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-6-7-8-13-18(16(19)21-17(2,3)4)14-9-11-15(20-5)12-10-14/h9-12H,6,13H2,1-5H3
InChIKey DXRCUPILHGFXGS-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704804
Quality 48
Reported Formula C17H23NO3
SMILES C(OC(N(CC#CCC)C1=CC=C(C=C1)OC)=O)(C)(C)C
SPLASH splash10-00dr-0920000000-6fc5cf8d22f1605532d0
Source of Spectrum ACI-56-SM4-IIh (DOI: 10.1002/anie.201704804)
Thin-Layer Chromatography 0.8 (petroleum ether/AcOEt, 8:2)
Wiley ID 1896327