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(2R,5R)-2-tert-Butyl-5-(3-oxo-cyclohexyl)-1-aza-3-oxa-bicyclo(3.3.0)octan-4-one

View entire compound with spectra: 4 NMR, and 2 MS (GC)

(2R,5R)-2-tert-Butyl-5-(3-oxo-cyclohexyl)-1-aza-3-oxa-bicyclo(3.3.0)octan-4-one
SpectraBase Compound ID DYb2eBZ9hsj
InChI InChI=1S/C16H25NO3/c1-15(2,3)13-17-9-5-8-16(17,14(19)20-13)11-6-4-7-12(18)10-11/h11,13H,4-10H2,1-3H3
InChIKey GABFQLKSNLBYLD-UHFFFAOYSA-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 EuumOj8cgBM
Name 1H,3H-Pyrrolo[1,2-c]oxazol-1-one, 3-(1,1-dimethylethyl)tetrahydro-7a-(3-oxocyclohexyl)-, [3R-[3.alpha.,7a.alpha.(S*)]]-
CAS Registry Number 86046-26-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO3
InChI InChI=1S/C16H25NO3/c1-15(2,3)13-17-9-5-8-16(17,14(19)20-13)11-6-4-7-12(18)10-11/h11,13H,4-10H2,1-3H3
InChIKey GABFQLKSNLBYLD-UHFFFAOYSA-N
Molecular Weight 279.380 g/mol
SMILES C1(=O)CC(CCC1)C12N(C(OC2=O)C(C)(C)C)CCC1
SPLASH splash10-014l-9600000000-c27ee4c2341ae41903fd
Synonyms 3-tert-Butyl-7a-(3-ketocyclohexyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]oxazol-1-one 3-tert-Butyl-7a-(3-oxidanylidenecyclohexyl)-3,5,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-one 3-tert-Butyl-7a-(3-oxocyclohexyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]oxazol-1-one 3-tert-Butyl-7a-(3-oxocyclohexyl)-3,5,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-one 3-tert-Butyl-7a-(3-oxocyclohexyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-1-one
Wiley ID 1489143