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(1RS,6RS,8RS)-METHYL-8-BUTYLOXY-5-OXO-CIS-2-AZABICYCLO-[4.2.0]-OCTAN-2-CARBOXYLAT
SpectraBase Compound ID 8CIOv7Wj5wn
InChI InChI=1S/C13H21NO4/c1-3-4-7-18-11-8-9-10(15)5-6-14(12(9)11)13(16)17-2/h9,11-12H,3-8H2,1-2H3/t9-,11+,12+/m0/s1
InChIKey OCTPWIWLHXERMX-MVWJERBFSA-N
Mol Weight 255.31 g/mol
Molecular Formula C13H21NO4
Exact Mass 255.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXvrPrkAjkV
Name (1R,6R,8R)-Methyl-8-butyloxy-5-oxo-cis-2-azabicyclo[4.2.0]octan-2-carboxylate
Alternate Name(s) Methyl (1R,6R,8R)-8-butoxy-5-oxo-2-azabicyclo[4.2.0]octane-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO4
InChI InChI=1S/C13H21NO4/c1-3-4-7-18-11-8-9-10(15)5-6-14(12(9)11)13(16)17-2/h9,11-12H,3-8H2,1-2H3/t9-,11+,12+/m0/s1
InChIKey OCTPWIWLHXERMX-MVWJERBFSA-N
Literature Reference DOI 10.1002/hlca.19910740118
Molecular Weight 255.314 g/mol
SMILES C1CN(C(OC)=O)[C@@]2([C@@](C1=O)([H])C[C@]2(OCCCC)[H])[H]
SPLASH splash10-0a4i-9600000000-948f942d7629536ff0be
Source of Spectrum H-74-176-17b
Wiley ID 1789158