(3R,3aR,9bS)-8-Bromo-1-methyl-3-phenyl-1,3,3a,9b-tetrahydro-2,5-dioxa-4-thia-1-aza-cyclopenta[a]naphthalene 4,4-dioxide

SpectraBase Compound ID	wKGPyTVcYF
InChI	InChI=1S/C16H14BrNO4S/c1-18-14-12-9-11(17)7-8-13(12)22-23(19,20)16(14)15(21-18)10-5-3-2-4-6-10/h2-9,14-16H,1H3/t14-,15+,16+/m0/s1
InChIKey	ROXZYEZOIUFXBJ-ARFHVFGLSA-N Google Search
Mol Weight	396.26 g/mol
Molecular Formula	C16H14BrNO4S
Exact Mass	394.982692 g/mol

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SpectraBase Spectrum ID	1ZxoZjwDIfk
Name	(3R,3aR,9bS)-8-Bromo-1-methyl-3-phenyl-1,3,3a,9b-tetrahydro-2,5-dioxa-4-thia-1-aza-cyclopenta[a]naphthalene 4,4-dioxide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H14BrNO4S
InChI	InChI=1S/C16H14BrNO4S/c1-18-14-12-9-11(17)7-8-13(12)22-23(19,20)16(14)15(21-18)10-5-3-2-4-6-10/h2-9,14-16H,1H3/t14-,15+,16+/m0/s1
InChIKey	ROXZYEZOIUFXBJ-ARFHVFGLSA-N
Molecular Weight	396.255 g/mol
SMILES	[C@@]12(S(Oc3ccc(cc3[C@@]2(N(C)O[C@@]1(c1ccccc1)[H])[H])Br)(=O)=O)[H]
SPLASH	splash10-03fr-9740000000-e64cd4a8eb61353f6c24
Source of Spectrum	F-68-3646-3e
Synonyms	8-Bromo-1-methyl-3-phenyl-1,3,3a,9b-tetrahydrobenzo[e][1,2]-oxathiino[4,3-c]isoxazole-4,4-dioxide
Wiley ID	1708529