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3,4-Dihydro-7-nitro-3-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-1,5-benzodioxepine
SpectraBase Compound ID 5YiWJkUlpFr
InChI InChI=1S/C14H17NO6/c16-15(17)10-4-5-12-13(7-10)20-9-11(8-19-12)21-14-3-1-2-6-18-14/h4-5,7,11,14H,1-3,6,8-9H2
InChIKey CEDOGBDZVNHVIY-UHFFFAOYSA-N
Mol Weight 295.29 g/mol
Molecular Formula C14H17NO6
Exact Mass 295.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1n6ThUfJK3V
Name 3,4-Dihydro-7-nitro-3-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-1,5-benzodioxepine
Alternate Name(s) 7-Nitro-3-((tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-benzo[b][1,4]dioxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO6
InChI InChI=1S/C14H17NO6/c16-15(17)10-4-5-12-13(7-10)20-9-11(8-19-12)21-14-3-1-2-6-18-14/h4-5,7,11,14H,1-3,6,8-9H2
InChIKey CEDOGBDZVNHVIY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200790085
Molecular Weight 295.291 g/mol
SMILES c1c(cc2c(OCC(CO2)OC2CCCCO2)c1)[N+](=O)[O-]
SPLASH splash10-000i-9220000000-7d7fe75ce9369214595d
Source of Spectrum H-90-1023-26d
Wiley ID 1783867