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13-Bromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine

View entire compound with spectra: 1 MS (GC)

13-Bromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine
SpectraBase Compound ID JtfIOCdym1a
InChI InChI=1S/C12H16BrNO4/c13-9-7-11-12(8-10(9)14)18-6-4-16-2-1-15-3-5-17-11/h7-8H,1-6,14H2
InChIKey LYWWHUHHJZXCOL-UHFFFAOYSA-N
Mol Weight 318.17 g/mol
Molecular Formula C12H16BrNO4
Exact Mass 317.026271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GA5GXSDczGZ
Name 13-Bromo-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine
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Formula C12H16BrNO4
InChI InChI=1S/C12H16BrNO4/c13-9-7-11-12(8-10(9)14)18-6-4-16-2-1-15-3-5-17-11/h7-8H,1-6,14H2
InChIKey LYWWHUHHJZXCOL-UHFFFAOYSA-N
Molecular Weight 318.167 g/mol
SMILES Nc1cc2c(OCCOCCOCCO2)cc1Br
SPLASH splash10-01dl-9455000000-00f5cc81ab5b5692289c
Source of Spectrum NP-11-407-0
Synonyms 12-Amino-13-bromo-benzo-12-crown-4 14-bromo-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-amine 14-bromanyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-amine
Wiley ID 1109325