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tert-butyl N-[(1S)-1-[(2R)-2-hydroxybut-3-ynyl]hept-5-ynyl]carbamate
SpectraBase Compound ID 5TgzaFwDLqE
InChI InChI=1S/C16H25NO3/c1-6-8-9-10-11-13(12-14(18)7-2)17-15(19)20-16(3,4)5/h2,13-14,18H,9-12H2,1,3-5H3,(H,17,19)/t13-,14-/m0/s1
InChIKey NWIHQXUZBCDEJH-KBPBESRZSA-N
Mol Weight 279.38 g/mol
Molecular Formula C16H25NO3
Exact Mass 279.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfFNCB80brL
Name tert-butyl N-[(1S)-1-[(2R)-2-hydroxybut-3-ynyl]hept-5-ynyl]carbamate
Appearance Colorless foam
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Exact Mass 279.183443666 u
Formula C16H25NO3
InChI InChI=1S/C16H25NO3/c1-6-8-9-10-11-13(12-14(18)7-2)17-15(19)20-16(3,4)5/h2,13-14,18H,9-12H2,1,3-5H3,(H,17,19)/t13-,14-/m0/s1
InChIKey NWIHQXUZBCDEJH-KBPBESRZSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601163
Molecular Weight 279.380 g/mol
Optical Rotation [a]D20 = +1.0 (c = 1.00, CHCl3)
Quality 181
Reported Formula C16H25NO3
SMILES O[C@](C[C@](CCCC#CC)(NC(=O)OC(C)(C)C)[H])(C#C)[H]
SPLASH splash10-0a4i-9500000000-3db27f39928431b2cedb
Source of Spectrum QE-22-SM32-55 (DOI: 10.1002/chem.201601163)
Wiley ID 1903422