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(10aR,11S)-11-Bromo-7,8,9,10,10a,11-hexahydrobenzo[e]pyrido[1,2-b][1,2]thiazine 5,5-dioxide
SpectraBase Compound ID Srnr64hnKt
InChI InChI=1S/C12H14BrNO2S/c13-12-9-5-1-2-7-11(9)17(15,16)14-8-4-3-6-10(12)14/h1-2,5,7,10,12H,3-4,6,8H2/t10-,12+/m1/s1
InChIKey JACNJZXQCACAJF-PWSUYJOCSA-N
Mol Weight 316.21 g/mol
Molecular Formula C12H14BrNO2S
Exact Mass 314.992863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hav5HWbn0Cr
Name (10aR,11S)-11-Bromo-7,8,9,10,10a,11-hexahydrobenzo[e]pyrido[1,2-b][1,2]thiazine 5,5-dioxide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.992862867 u
Formula C12H14BrNO2S
InChI InChI=1S/C12H14BrNO2S/c13-12-9-5-1-2-7-11(9)17(15,16)14-8-4-3-6-10(12)14/h1-2,5,7,10,12H,3-4,6,8H2/t10-,12+/m1/s1
InChIKey JACNJZXQCACAJF-PWSUYJOCSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202267
Molecular Weight 316.213 g/mol
Quality 154
Reported Formula C12H14NO2SBr
SMILES C1=CC2=C(C=C1)[C@@]([C@@]1(N(S2(=O)=O)CCCC1)[H])(Br)[H]
SPLASH splash10-000i-9740000000-e7211c5d27291b396de3
Sample Comments 3% ee
Source of Spectrum QE-28-SM31-2j (DOI: 10.1002/chem.202202267)
Wiley ID 1902417