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6-bromo-2-(morpholinomethyl)-1,2-benzisoxazolin-3-one

View entire compound with spectra: 1 NMR, and 1 FTIR

6-bromo-2-(morpholinomethyl)-1,2-benzisoxazolin-3-one
SpectraBase Compound ID 1yi4XRbWVoJ
InChI InChI=1S/C12H13BrN2O3/c13-9-1-2-10-11(7-9)18-15(12(10)16)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2
InChIKey XNXHVNJAIXUGIO-UHFFFAOYSA-N
Mol Weight 313.15 g/mol
Molecular Formula C12H13BrN2O3
Exact Mass 312.010955 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6557P4EzetM
Name 6-BROMO-2-(MORPHOLINOMETHYL)-1,2-BENZISOXAZOLIN-3-ONE
Source of Sample I. Bien and E. Domagalina, Medical Academy of Lublin, Lublin, Poland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13BrN2O3
InChI InChI=1S/C12H13BrN2O3/c13-9-1-2-10-11(7-9)18-15(12(10)16)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2
InChIKey XNXHVNJAIXUGIO-UHFFFAOYSA-N
Literature Reference ACTA POLON. PHARM. 38, 41(1981) Abstract-Chemical Abstracts= 96, 85453(1982)
Melting Point 157-159C
Molecular Weight 313.157013
Synonyms 1,2-BENZISOXAZOLIN-3-ONE, 6-BROMO- 2-/MORPHOLINOMETHYL/-,
Technique FILM (CAST FROM CHCl3)