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tert-butyl N-[(1S)-1-(2-oxoethyl)hept-5-ynyl]carbamate
SpectraBase Compound ID CPeWSYuNJRJ
InChI InChI=1S/C14H23NO3/c1-5-6-7-8-9-12(10-11-16)15-13(17)18-14(2,3)4/h11-12H,7-10H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKey XZEALFCTTAGYQF-LBPRGKRZSA-N
Mol Weight 253.34 g/mol
Molecular Formula C14H23NO3
Exact Mass 253.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16g3OkuPL4q
Name tert-butyl N-[(1S)-1-(2-oxoethyl)hept-5-ynyl]carbamate
Appearance Colorless liquid
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Exact Mass 253.167793602 u
Formula C14H23NO3
InChI InChI=1S/C14H23NO3/c1-5-6-7-8-9-12(10-11-16)15-13(17)18-14(2,3)4/h11-12H,7-10H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKey XZEALFCTTAGYQF-LBPRGKRZSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601163
Molecular Weight 253.342 g/mol
Optical Rotation [a]D20 = -16.2 (c = 1.00, CHCl3)
Quality 106
Reported Formula C14H23NO3
SMILES N(C(OC(C)(C)C)=O)[C@](CC=O)(CCCC#CC)[H]
SPLASH splash10-0a4i-9000000000-ff9596e3db205c255aa9
Source of Spectrum QE-22-SM31-54 (DOI: 10.1002/chem.201601163)
Wiley ID 1903421