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Tert-Butyl 5a,9a-difluorohexahydro-2H-[1,4]dioxepino[2,3-c]pyridine-7(6H)-carboxylate
SpectraBase Compound ID 4sokcvQjyBz
InChI InChI=1S/C13H21F2NO4/c1-11(2,3)20-10(17)16-6-5-12(14)13(15,9-16)19-8-4-7-18-12/h4-9H2,1-3H3
InChIKey CANGQMLZHJVFHI-UHFFFAOYSA-N
Mol Weight 293.31 g/mol
Molecular Formula C13H21F2NO4
Exact Mass 293.143864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGJMwfwxs8u
Name Tert-Butyl 5a,9a-difluorohexahydro-2H-[1,4]dioxepino[2,3-c]pyridine-7(6H)-carboxylate
Alternate Name(s) tert-Butyl 5a,9a-difluorohexahydro-2H-[1,4]dioxepino[2,3-c]pyridine-7(8H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21F2NO4
InChI InChI=1S/C13H21F2NO4/c1-11(2,3)20-10(17)16-6-5-12(14)13(15,9-16)19-8-4-7-18-12/h4-9H2,1-3H3
InChIKey CANGQMLZHJVFHI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000466
Molecular Weight 293.311 g/mol
SMILES C1N(CCC2(C1(OCCCO2)F)F)C(=O)OC(C)(C)C
SPLASH splash10-0a4i-9620000000-25d006b76679b40b9ff7
Source of Spectrum ASC-352-2751/SM9-6f
Wiley ID 1764043