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(3S,5S,6S)-2-Oxo-3-isopropyl-5-acetyl-1-aza-4-oxabicyclo[4.3.0]nonane
SpectraBase Compound ID LvB5AtK8WrF
InChI InChI=1S/C12H19NO3/c1-7(2)10-12(15)13-6-4-5-9(13)11(16-10)8(3)14/h7,9-11H,4-6H2,1-3H3/t9-,10-,11+/m0/s1
InChIKey VNGRHRBDWWMNGO-GARJFASQSA-N
Mol Weight 225.29 g/mol
Molecular Formula C12H19NO3
Exact Mass 225.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JS3M48aVTX3
Name (3S,5S,6S)-2-Oxo-3-isopropyl-5-acetyl-1-aza-4-oxabicyclo[4.3.0]nonane
Alternate Name(s) (1S,3S,8aS)-1-acetyl-3-isopropyltetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4(3H)-one
CAS Registry Number 132127-50-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO3
InChI InChI=1S/C12H19NO3/c1-7(2)10-12(15)13-6-4-5-9(13)11(16-10)8(3)14/h7,9-11H,4-6H2,1-3H3/t9-,10-,11+/m0/s1
InChIKey VNGRHRBDWWMNGO-GARJFASQSA-N
Molecular Weight 225.288 g/mol
SMILES C1(N2[C@]([C@](O[C@]1(C(C)C)[H])(C(=O)C)[H])(CCC2)[H])=O
SPLASH splash10-00di-9200000000-4049b336d02a216b39ee
Source of Spectrum J-56-2631-16
Wiley ID 1226417