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tert-Butyl (1R,4s,7S)-8-oxabicyclo[5.1.0]octan-4-ylcarbamate
SpectraBase Compound ID BQ3NIcOUwAt
InChI InChI=1S/C12H21NO3/c1-12(2,3)16-11(14)13-8-4-6-9-10(15-9)7-5-8/h8-10H,4-7H2,1-3H3,(H,13,14)/t8-,9-,10+
InChIKey QTYYSIVTVHWFHY-OWUUHHOZSA-N
Mol Weight 227.3 g/mol
Molecular Formula C12H21NO3
Exact Mass 227.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDOxRheQ5UC
Name tert-Butyl (1R,4s,7S)-8-oxabicyclo[5.1.0]octan-4-ylcarbamate
Appearance White solid
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Formula C12H21NO3
InChI InChI=1S/C12H21NO3/c1-12(2,3)16-11(14)13-8-4-6-9-10(15-9)7-5-8/h8-10H,4-7H2,1-3H3,(H,13,14)/t8-,9-,10+
InChIKey QTYYSIVTVHWFHY-OWUUHHOZSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202000650
Molecular Weight 227.304 g/mol
SMILES N([C@]1(CC[C@]2([C@@](CC1)(O2)[H])[H])[H])C(OC(C)(C)C)=O
SPLASH splash10-0a4i-9000000000-55e29790d54dc224923e
Sample Comments mixture of diastereoisomers (trans/cis, 1:1.2)
Source of Spectrum ACI-59-SM28-1c
Wiley ID 1857733