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(5aS,8S,10aS,10bS)-8-Pivaloyloxymethyloctahydrooxepino[3,4-d]pyrrolo[1,2-b]isoxazol-1(3H)-one
SpectraBase Compound ID 30yEO5tZ0wG
InChI InChI=1S/C16H25NO5/c1-16(2,3)15(19)21-9-10-6-7-11-13-12(22-17(10)11)5-4-8-20-14(13)18/h10-13H,4-9H2,1-3H3/t10-,11-,12-,13-/m0/s1
InChIKey SBUYBHRKODKKKA-CYDGBPFRSA-N
Mol Weight 311.38 g/mol
Molecular Formula C16H25NO5
Exact Mass 311.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgnXHIgjJ0C
Name (5aS,8S,10aS,10bS)-8-Pivaloyloxymethyloctahydrooxepino[3,4-d]pyrrolo[1,2-b]isoxazol-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO5
InChI InChI=1S/C16H25NO5/c1-16(2,3)15(19)21-9-10-6-7-11-13-12(22-17(10)11)5-4-8-20-14(13)18/h10-13H,4-9H2,1-3H3/t10-,11-,12-,13-/m0/s1
InChIKey SBUYBHRKODKKKA-CYDGBPFRSA-N
Molecular Weight 311.378 g/mol
SMILES [C@@]12(N(O[C@@]3([C@]2(C(OCCC3)=O)[H])[H])[C@@](CC1)(COC(C(C)(C)C)=O)[H])[H]
SPLASH splash10-0002-0911000000-d015eb10edca985c64cc
Source of Spectrum F-70-3163-17
Synonyms [(5aS,8S,10aS,10bS)-1-oxodecahydrooxepino[3,4-d]pyrrolo[1,2-b]isoxazol-8-yl]methyl pivalate
Wiley ID 1596670