trans-3,4-dibromo-9-phenyl-7-oxa-8-aza-cis-bicyclo[4.3.0]non-8-ene

SpectraBase Compound ID	9i3XgvKV8xe
InChI	InChI=1S/C13H13Br2NO/c14-10-6-9-12(7-11(10)15)17-16-13(9)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-,11+,12-/m0/s1
InChIKey	PWSGNXLKWNTWHW-YFKTTZPYSA-N Google Search
Mol Weight	359.06 g/mol
Molecular Formula	C13H13Br2NO
Exact Mass	356.93639 g/mol

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SpectraBase Spectrum ID	LV4OBBNVtAX
Name	trans-3,4-dibromo-9-phenyl-7-oxa-8-aza-cis-bicyclo[4.3.0]non-8-ene
CAS Registry Number	100854-10-2
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H13Br2NO
InChI	InChI=1S/C13H13Br2NO/c14-10-6-9-12(7-11(10)15)17-16-13(9)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-,11+,12-/m0/s1
InChIKey	PWSGNXLKWNTWHW-YFKTTZPYSA-N
Molecular Weight	359.061 g/mol
SMILES	C1(=NO[C@]2(C[C@]([C@](C[C@]12[H])(Br)[H])(Br)[H])[H])c1ccccc1
SPLASH	splash10-0a6r-4009000000-0434813639da71a3393f
Source of Spectrum	K-118-4222-32
Synonyms	(3aR,5S,6R,7aS)-5,6-dibromo-3-phenyl-3a,4,5,6,7,7a-hexahydro-1,2-benzisoxazole trans-3,4-dibrom-9-phenyl-7-oxa-8-aza-cis-bicyclo[4.3.0]non-8-ene
Wiley ID	1346306