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1-Benzoxacycloundecin-2(3H)-one, 11-(acetyloxy)-4,5,6,7,8,9-hexahydro-9-nitro-
SpectraBase Compound ID IX2NohGSYUE
InChI InChI=1S/C16H19NO6/c1-11(18)22-13-8-6-9-14-16(13)12(17(20)21)7-4-2-3-5-10-15(19)23-14/h6,8-9,12H,2-5,7,10H2,1H3
InChIKey KGCVMRQULFZHQM-UHFFFAOYSA-N
Mol Weight 321.33 g/mol
Molecular Formula C16H19NO6
Exact Mass 321.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcnSTJyy4WD
Name 1-Benzoxacycloundecin-2(3H)-one, 11-(acetyloxy)-4,5,6,7,8,9-hexahydro-9-nitro-
CAS Registry Number 105950-20-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO6
InChI InChI=1S/C16H19NO6/c1-11(18)22-13-8-6-9-14-16(13)12(17(20)21)7-4-2-3-5-10-15(19)23-14/h6,8-9,12H,2-5,7,10H2,1H3
InChIKey KGCVMRQULFZHQM-UHFFFAOYSA-N
Molecular Weight 321.329 g/mol
SMILES c12c(OC(=O)CCCCCCC2N(=O)=O)cccc1OC(=O)C
SPLASH splash10-00r6-7920000000-0781e72a4c541d11b8aa
Source of Spectrum H-69-89-13
Synonyms 9-Nitro-2-oxo-2,3,4,5,6,7,8,9-octahydro-1-benzoxacycloundecin-10-yl acetate Essigsaure-[10-nitro-3-oxo-2-oxabicyclo[9.4.0]pentadeca-1(11),12,14-trien-13-yl]ester
Wiley ID 1320845